SCHEMBL4485529

SCHEMBL4485529

CCc1ccc(C(=O)N(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ HPGD P15428 2/20 0.55
▸ PLK1 P53350 1/20 0.53
▸ EPHX2 P34913 1/20 0.50
▸ NR1H4 Q96RI1 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ ACACB O00763 1/20 0.45
▸ LIMK2 P53671 1/20 0.44
▸ TAS1R3 Q7RTX0 1/20 0.44
▸ TAS1R1 Q7RTX1 1/20 0.44
▸ RXRA P19793 1/20 0.44
▸ RXRB P28702 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21628616 0.89 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2HPGDPLK1MEN1
SCHEMBL855666 0.86 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2HPGDPLK1EPHX2
SCHEMBL855667 0.85 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2HPGDPLK1EPHX2
SCHEMBL1004649 0.83 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2HPGDEPHX2NR1H4
SCHEMBL8254227 0.83 ESR1 (0.60) ALDH1A1SMN1; SMN2HPGDPLK1EPHX2
SCHEMBL8429483 0.83 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2HPGDPLK1TDP1
SCHEMBL505778 0.83 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2HPGDEPHX2NR1H4
SCHEMBL16242064 0.83 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2HPGDEPHX2NR1H4
SCHEMBL2633028 0.81 CYP1A2 (0.48) ALDH1A1SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL3559829 0.81 HPGD (0.61) ALDH1A1SMN1; SMN2HPGDPLK1TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 102 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3661941-B1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2022-12-14 — — EP disclosed
WO-2022169755-A1 SULFONAMIDE SUBSTITUTED N-(1H-INDOL-7-YL) BENZENESULFONAMIDES AND USES THEREOF TRIANA BIOMEDICINES, INC. (US) 2022-08-11 — — WO disclosed
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2021-06-24 — — US disclosed
US-20210122713-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARMACEUTICALS INC. (US) 2021-04-29 — — US disclosed
US-10370358-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2019-08-06 — — US disclosed
US-10351575-B2 Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain ARRAY BIOPHARMA INC. (US) 2019-07-16 — — US disclosed
US-10183009-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-01-22 — — US disclosed
US-20180194746-A1 Compounds For the Treatment of HIV GILEAD SCIENCES, INC. 2018-07-12 — — US disclosed
US-20180179151-A1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALT THEREOF UNIVERSITY OF TSUKUBA (JP) 2018-06-28 — — US disclosed
US-9969694-B2 N-(arylalkyl)-N′-pyrazolyl-urea, thiourea, guanidine and cyanoguanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2018-05-15 — — US disclosed
EP-0643040-A1 Amidrazones and their use as pesticides ROHM AND HAAS COMPANY (US) 1995-03-15 — — EP disclosed
EP-0284076-B1 Process for preparing (+)-1,2-dihydro-3H-pyrrolo[1,2-a]pyrrole-1-carboxylic acid and related compounds SYNTEX INC (US) 1994-06-08 — — EP disclosed
EP-0275092-B1 PROCESS FOR PREPARING (+)-1,2-DIHYDRO-3H-PYRROLO(1,2-A)PYRROLE-1,7-DICARBOXYLATES SYNTEX (U.S.A.) INC. (US) 1992-06-03 — — EP disclosed
EP-0284076-A1 Process for preparing (+)-1,2-dihydro-3H-pyrrolo[1,2-a]pyrrole-1-carboxylic acid and related compounds SYNTEX (U.S.A.) INC. (US) 1988-09-28 — — EP disclosed
EP-0275092-A1 Process for preparing (+)-1,2-dihydro-3H-pyrrolo(1,2-a)pyrrole-1,7-dicarboxylates SYNTEX (U.S.A.) INC. (US) 1988-07-20 — — EP disclosed
EP-0041711-B1 6-CHLORO- OR 6-BROMO-1,2-DIHYDRO-3H-PYRROLO(1,2-A)-PYRROLE-1-CARBOXYLIC ACIDS AND DERIVATIVES THEREOF, PROCESS FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SYNTEX (U.S.A.) INC. (US) 1985-04-17 — — EP disclosed
US-4410534-A 3-Substituted-5,6,7,8-tetrahydropyrrolo[1,2-a]-pyridine-and 6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]-azepine carboxylic acid derivatives useful as blood platelet aggregation inhibitors SYNTEX (U.S.A.) INC. (US) 1983-10-18 — — US disclosed
US-4344943-A ANALGESICS, ANTIINFLAMMATORY AGENTS SYNTEX (U.S.A.) INC. (US) 1982-08-17 — — US disclosed
EP-0041711-A1 6-Chloro- or 6-bromo-1,2-dihydro-3H-pyrrolo(1,2-a)-pyrrole-1-carboxylic acids and derivatives thereof, process for their production and pharmaceutical compositions containing them SYNTEX (U.S.A.) INC. (US) 1981-12-16 — — EP disclosed
US-4089969-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC, SMOOTH MUSCLE RELAXANT SYNTEX (U.S.A.) INC. (US) 1978-05-16 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10370358-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN ALDH1A1 649/4885SMN1; SMN2 3500/4885HPGD 1093/4885
US-20180179151-A1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALT THEREOF HCRTR2, HCRTR1, NPSR1 ALDH1A1 968/4885SMN1; SMN2 1062/4885HPGD 2993/4885
US-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN ALDH1A1 649/4885SMN1; SMN2 3500/4885HPGD 1093/4885
US-10183009-B2 Therapeutic compounds and uses thereof BRD4, BRDT, BRPF3 ALDH1A1 2006/4885SMN1; SMN2 1340/4885HPGD 1603/4885
US-20210122713-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES SLC10A1, VHL, CYP11B2 ALDH1A1 321/4885SMN1; SMN2 369/4885HPGD 783/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 ALDH1A1 2583/4885SMN1; SMN2 1320/4885HPGD 3374/4885
US-10351575-B2 Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain TK1, UACA, TDP1 ALDH1A1 3388/4885SMN1; SMN2 2313/4885HPGD 1893/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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