SCHEMBL322040

SCHEMBL322040

CCc1cccc(C(=O)N(C)C)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
BCL2 P10415 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
HPGD P15428 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAP4K1 Q92918 1/20 0.46
SMYD3 Q9H7B4 1/20 0.46
KAT6A Q92794 1/20 0.46
CNR2 P34972 1/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.45
ERN1 O75460 1/20 0.44
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44
CYP4F2 P78329 2/20 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
SCHEMBL14117419 0.86 KMT2A (0.58) KMT2AMEN1BCL2L3MBTL1HPGD
SCHEMBL10268514 0.86 KMT2A (0.50) KMT2AMEN1L3MBTL1HPGDTDP1
SCHEMBL29866123 0.85 KMT2A (0.53) KMT2AMEN1L3MBTL1HPGDTDP1
SCHEMBL3996930 0.85 KMT2A (0.53) KMT2AMEN1L3MBTL1HPGDTDP1
SCHEMBL30240849 0.84 KMT2A (0.56) KMT2AMEN1L3MBTL1HPGDTDP1
SCHEMBL3276164 0.84 KMT2A (0.51) KMT2AMEN1L3MBTL1HPGDTDP1
SCHEMBL929805 0.84 LOXL2 (0.60) KMT2AMEN1L3MBTL1NPC1LMNA
SCHEMBL29866166 0.84 KMT2A (0.51) KMT2AMEN1L3MBTL1HPGDTDP1
SCHEMBL8828473 0.84 HPGD (0.67) KMT2AMEN1L3MBTL1HPGDTDP1
SCHEMBL7044973 0.84 FOLH1 (0.62) KMT2AMEN1L3MBTL1HPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220177443-A1 SMALL MOLECULE DEGRADERS OF HELIOS AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-06-09 US disclosed
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2020-03-24 US disclosed
US-10183009-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-01-22 US disclosed
US-20180141941-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-05-24 US disclosed
US-20170340605-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 US disclosed
US-9815787-B2 Sulfonamide derivative or pharmaceutically acceptable acid addition salt thereof UNIVERSITY OF TSUKUBA (JP) 2017-11-14 US disclosed
US-9809590-B2 Substituted N-(1H-indazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide compounds as type III receptor tyrosine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-11-07 US disclosed
EP-1921077-B1 AGENT FOR TREATING AND/OR PREVENTING SLEEP DISORDER KYOWA HAKKO KIRIN CO LTD (JP) 2017-07-26 EP disclosed
EP-2464645-B1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2017-07-05 EP disclosed
US-20170166560-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-06-15 US disclosed
WO-2009062289-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-22 WO disclosed
US-20070197608-A1 Piperazines as oxytocin agonists FERRING B.V. (NL) 2007-08-23 US disclosed
US-20070117794-A1 Methods of treatment using oxytocin receptor agonists WYETH (US) 2007-05-24 US disclosed
US-20070117794-A1 Methods of treatment using oxytocin receptor agonists WYETH (US) 2007-05-24 US disclosed
WO-2007050353-A2 TRICYCLIC COMPOUNDS USEFUL AS OXYTOCIN RECEPTOR AGONISTS WYETH (US) 2007-05-03 WO disclosed
WO-2005023812-A2 PIPERAZINES AS OXYTOCIN AGONISTS FERRING B.V. (NL) 2005-03-17 WO disclosed
US-4458081-A ANTIINFLAMMATORY, ANALGESIC, ANTICOAGULANT, MUSCLE RELAXANT SYNTEX (U.S.A.) INC. (US) 1984-07-03 US disclosed
US-4454326-A 5-Aroyl 6-chloro or 6-bromo 1,2-dihydro-3H-pyrrolo[1,2-a]pyrrole-1,1-di-carboxylates SYNTEX (U.S.A.) INC. (US) 1984-06-12 US disclosed
US-4347187-A Process for preparing 5-aroyl 1,2-dihydro-3H-pyrrolo[1,2-a]pyrrole-1-carboxylic acids and novel intermediates therein SYNTEX (U.S.A.) INC. (US) 1982-08-31 US disclosed
US-4347186-A Process for preparing 5-aroyl 1,2-dihydro-3-H pyrrolo[1,2-a]pyrrole-1-carboxylic acids and novel intermediates therein SYNTEX (U.S.A.) INC. (US) 1982-08-31 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 (8 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-20170166560-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 KMT2A 2123/4885MEN1 1384/4885BCL2 4025/4885
US-20070117794-A1 Methods of treatment using oxytocin receptor agonists OXTR, AVPR1A, PRLHR KMT2A 2789/4885MEN1 4369/4885BCL2 2246/4885
US-20220177443-A1 SMALL MOLECULE DEGRADERS OF HELIOS AND METHODS OF USE IKZF2, IKZF1, IKZF3 KMT2A 537/4885MEN1 2835/4885BCL2 814/4885
US-10183009-B2 Therapeutic compounds and uses thereof BRD4, BRDT, BRPF3 KMT2A 126/4885MEN1 638/4885BCL2 1666/4885
US-20170340605-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRPF3 KMT2A 126/4885MEN1 638/4885BCL2 1666/4885
US-20180141941-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF NR1H4, FXR1, SLC10A1 KMT2A 4586/4885MEN1 4363/4885BCL2 4692/4885
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 KMT2A 4586/4885MEN1 4363/4885BCL2 4692/4885
US-20070197608-A1 Piperazines as oxytocin agonists OXTR, OPRL1, AVPR2 KMT2A 4438/4885MEN1 3461/4885BCL2 4448/4885

“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.