Sugi Predict

Sugi Predict / Compounds / SCHEMBL40709

SCHEMBL40709

SCHEMBL40709

[CH2]c1ccc(C(=O)N(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.59
▸ HPGD P15428 3/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ ERN1 O75460 3/20 0.43
▸ HSP90AA1 P07900 1/20 0.42
▸ PDK2 Q15119 1/20 0.42
▸ EPHX2 P34913 1/20 0.41
▸ NR1H4 Q96RI1 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CYP3A4 P08684 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ NCOA1 Q15788 1/20 0.40
▸ NCOA3 Q9Y6Q9 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ MMP2 P08253 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ MMP8 P22894 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40

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
SCHEMBL5612755 0.88 HPGD (0.81) ALDH1A1HPGDSMN1; SMN2HSP90AA1MAPT
SCHEMBL1004649 0.87 ALDH1A1 (0.73) ALDH1A1HPGDSMN1; SMN2ERN1HSP90AA1
SCHEMBL8056783 0.80 ALDH1A1 (0.53) ALDH1A1HPGDSMN1; SMN2ERN1HSP90AA1
SCHEMBL10626283 0.80 ALDH1A1 (0.64) ALDH1A1HPGDSMN1; SMN2ERN1PDK2
SCHEMBL24713164 0.79 ALDH1A1 (0.57) ALDH1A1HPGDSMN1; SMN2ERN1HSP90AA1
SCHEMBL2531849 0.79 HDAC4 (0.46) ALDH1A1HPGDSMN1; SMN2PDK2MAPT
SCHEMBL458926 0.78 ALDH1A1 (0.61) ALDH1A1HPGDSMN1; SMN2MEN1TP53
SCHEMBL949041 0.78 HPGD (0.61) ALDH1A1HPGDSMN1; SMN2ERN1HSP90AA1
SCHEMBL1300109 0.78 ALDH1A1 (0.61) ALDH1A1HPGDSMN1; SMN2ERN1HSP90AA1
SCHEMBL487487 0.78 HPGD (0.61) ALDH1A1HPGDSMN1; SMN2ERN1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112469711-A Synthesis method of quinoline derivative 正大天晴药业集团股份有限公司 2021-03-09 — — CN claimed
CN-107200759-B Method for synthesizing Quzhazhigan 昆药集团股份有限公司 2020-04-24 — — CN claimed
WO-2020020190-A1 METHOD FOR SYNTHESIZING QUINOLINE DERIVATIVE 正大天晴药业集团股份有限公司 2020-01-30 — — WO claimed
EP-2629777-B1 BICYCLIC DIAMINES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-12-19 — — EP claimed
US-9822146-B2 Process for the manufacture of degarelix and its intermediates FERRING B.V. (NL) 2017-11-21 — — US claimed
CN-107200759-A A kind of synthetic method of Quzhazhigan 昆药集团股份有限公司 2017-09-26 — — CN claimed
CN-104031020-B A kind of preparation method of adjacent hydroxyl olopatadine 北京嘉林药业股份有限公司 2016-08-24 — — CN claimed
US-20160145301-A1 PROCESS FOR THE MANUFACTURE OF DEGARELIX AND ITS INTERMEDIATES FERRING BV (NL) 2016-05-26 — — US claimed
US-8937077-B2 Bicyclic diamines as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2015-01-20 — — US claimed
US-20130225577-A1 BICYCLIC DIAMINES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME LLC 2013-08-29 — — US claimed
EP-2629777-A2 BICYCLIC DIAMINES AS JANUS KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-08-28 — — EP claimed
WO-2012054364-A2 BICYCLIC DIAMINES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-04-26 — — WO claimed
WO-2010006954-A1 NOVEL N-SUBSTITUTED BETA-AMINO ACID ESTERS DSM IP ASSETS B.V. (NL) 2010-01-21 — — WO claimed
US-7629469-B2 Intermediate for the preparation of paliperidone SCINOPHARM TAIWAN, LTD. (TW) 2009-12-08 — — US claimed
WO-2009091962-A1 A NOVEL INTERMEDIATE FOR THE PREPARATION OF PALIPERIDONE SCINOPHARM TAIWAN LTD. (TW) 2009-07-23 — — WO claimed
US-20090182150-A1 Novel Intermediate for the Preparation of Paliperidone SCINOPHARM TAIWAN LTD. 2009-07-16 — — US claimed
US-20240075151-A1 CONJUGATES OF TUMOR NECROSIS FACTOR INHIBITORS TO FUNCTIONALIZED POLYMERS FISH & RICHARDSON PC 2024-03-07 — — US disclosed
US-11773219-B2 Functionalized polymers QUIAPEG PHARMACEUTICALS AB (SE) 2023-10-03 — — US disclosed
US-4837333-A SELECTIVE INHIBITOR OF THROMBOXANE SYNTHETASE ENZYME G. D. SEARLE & CO. (US) 1989-06-06 — — US disclosed
EP-0150892-A2 Substituted alkylidene imidazoles G.D. Searle & Co. (US) 1985-08-07 — — EP 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 (5 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-20090182150-A1 Novel Intermediate for the Preparation of Paliperidone AVPR2, AVPR1A, AVPR1B ALDH1A1 997/4885HPGD 118/4885SMN1; SMN2 2302/4885
US-11773219-B2 Functionalized polymers PARG, PUF60, PCBP1 ALDH1A1 3526/4885HPGD 1500/4885SMN1; SMN2 2062/4885
US-20160145301-A1 PROCESS FOR THE MANUFACTURE OF DEGARELIX AND ITS INTERMEDIATES VIP, HABP2, DPP9 ALDH1A1 2182/4885HPGD 2138/4885SMN1; SMN2 2834/4885
US-20240075151-A1 CONJUGATES OF TUMOR NECROSIS FACTOR INHIBITORS TO FUNCTIONALIZED POLYMERS TNF, TNFRSF1A, TNFSF11 ALDH1A1 3359/4885HPGD 508/4885SMN1; SMN2 4091/4885
US-20130225577-A1 BICYCLIC DIAMINES AS JANUS KINASE INHIBITORS JAK1, JAK2, JAK3 ALDH1A1 780/4885HPGD 1049/4885SMN1; SMN2 4804/4885

“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.