SCHEMBL3486864

SCHEMBL3486864

O=[C]CN(O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSP90AA1 P07900 1/20 0.38
ALDH1A1 P00352 4/20 0.38
HTT P42858 4/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
GLA P06280 2/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
ALOX15 P16050 1/20 0.34
USP2 O75604 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TP53 P04637 1/20 0.33
MTNR1A P48039 1/20 0.32

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
SCHEMBL10696444 0.76 MTNR1A (0.38) NPSR1KMT2AMEN1ALDH1A1HTT
SCHEMBL6929485 0.73 CA12 (0.47) KMT2AMEN1CYP3A4ALDH1A1HTT
SCHEMBL11145996 0.72 NPSR1 (0.42) NPSR1KMT2AMEN1SMN1; SMN2CYP3A4
SCHEMBL11845758 0.71 ESR1 (0.41) NPSR1KMT2AMEN1HSP90AA1HTT
SCHEMBL3809800 0.71 ALDH1A1 (0.46) NPSR1KMT2AMEN1SMN1; SMN2CYP3A4
SCHEMBL3054163 0.70 KDM4E (0.39) NPSR1KMT2AMEN1SMN1; SMN2HSP90AA1
SCHEMBL124582 0.70 NPSR1 (0.46) NPSR1KMT2AMEN1SMN1; SMN2CYP3A4
SCHEMBL9743711 0.70 NPSR1 (0.46) NPSR1KMT2AMEN1SMN1; SMN2CYP3A4
SCHEMBL3915161 0.70 MEN1 (0.44) NPSR1KMT2AMEN1SMN1; SMN2CYP3A4
SCHEMBL9214815 0.70 TSHR (0.53) KMT2AMEN1CYP3A4ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104520309-B N- substitution second generation derivatives of antifungal antibiotic amphotericin B and its preparation method and application 布里特股份公司 2018-05-04 CN claimed
EP-0018546-B1 PROCESS FOR THE PRODUCTION OF PHENYLGLYCYL CHLORIDE HYDROCHLORIDES BIOCHEMIE Gesellschaft m.b.H. (AT) 1983-09-28 EP claimed
EP-0018546-A2 Process for the production of phenylglycyl chloride hydrochlorides BIOCHEMIE Gesellschaft m.b.H. (AT) 1980-11-12 EP claimed
CN-106061947-B Cyclohexyl sulfone ROR gamma modulators 百时美施贵宝公司 2019-12-03 CN disclosed
CN-110520423-A AMINOTRIAZOLOPYRIDINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO 2019-11-29 CN disclosed
CN-110214137-A As αvThe indazole derivative of integrin antagonists 百时美施贵宝公司 2019-09-06 CN disclosed
CN-110191887-A The Imidazopyridazine regulator of IL-12, IL-23 and/or IFN-α 百时美施贵宝公司 2019-08-30 CN disclosed
CN-110167934-A Monocycle and spiro-compound containing cyclobutane and containing azetidine as α V integrin inhibitor 百时美施贵宝公司 2019-08-23 CN disclosed
CN-110167933-A Azole amides and amines as α V integrin inhibitors 百时美施贵宝公司 2019-08-23 CN disclosed
CN-110139864-A pyrrole amides as α V integrin inhibitors 百时美施贵宝公司 2019-08-16 CN disclosed
CN-110036015-A It can be used as the Imidazopyridazine compounds of the regulator of IL-12, IL-23 and/or IFN α response 百时美施贵宝公司 2019-07-19 CN disclosed
US-20100009404-A1 PRODUCTION OF BETA-LACTAM ANTIBIOTICS DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2010-01-14 US disclosed
EP-2084270-A2 PRODUCTION OF BETA-LACTAM ANTIBIOTICS DSMIP Assets B.V. (NL) 2009-08-05 EP disclosed
WO-2008040731-A3 PRODUCTION OF BETA-LACTAM ANTIBIOTICS DSM IP ASSETS BV (NL) 2008-05-22 WO disclosed
WO-2008040731-A2 PRODUCTION OF BETA-LACTAM ANTIBIOTICS DSM IP ASSETS B.V. (NL) 2008-04-10 WO disclosed
US-20050124029-A1 Process for the preparation of a betha- lactam antibiotic with mutated penicillin acylase DSM IP ASSESTS B.V. (NL) 2005-06-09 US disclosed
WO-2004111241-A1 PENICILLIN ACYLASE STICHTING VOOR DE TECHNISCHE WETENSCHAPPEN (NL) 2004-12-23 WO disclosed
EP-1456370-A2 PROCESS FOR THE PREPARATION OF A BETA-LACTAM ANTIBIOTIC WITH MUTATED PENICILLIN ACYLASE DSM IP Assets B.V. (NL) 2004-09-15 EP disclosed
WO-2003055998-A2 PROCESS FOR THE PREPARATION OF A BETA-LACTAM ANTIBIOTIC WITH MUTATED PENICILLIN ACYLASE DSM IP ASSETS B.V. (NL) 2003-07-10 WO disclosed
US-4619925-A ANTIBIOTICS FOR GRAMPOSITIVE AND GRAMNEGATIVE BACTERIA BRISTOL-MYERS COMPANY (US) 1986-10-28 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 (1 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-20050124029-A1 Process for the preparation of a betha- lactam antibiotic with mutated penicillin acylase BET1, COASY, PGGT1B NPSR1 4332/4885KMT2A 703/4885MEN1 2560/4885

“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.