SCHEMBL4066290

SCHEMBL4066290

COC(=O)c1ccc(NC(=N)N)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.62
KMT2A Q03164 6/20 0.62
MAPT P10636 6/20 0.59
ALDH1A1 P00352 3/20 0.59
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
MAPK1 P28482 1/20 0.57
HTT P42858 1/20 0.57
KDM4E B2RXH2 1/20 0.57
LMNA P02545 1/20 0.56
GAA P10253 1/20 0.56
ATM Q13315 1/20 0.56
POLB P06746 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
PTPN1 P18031 1/20 0.53
TDP1 Q9NUW8 1/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52

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
Hydrochloric Acid SCHEMBL1186104 0.98 MEN1 (0.61) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL27519099 0.93 NPC1 (0.67) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL9717016 0.93 MEN1 (0.56) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL7328271 0.91 ACR (0.58) MEN1KMT2AMAPTALDH1A1NPC1
Hydrochloric Acid SCHEMBL7330789 0.89 ACR (0.59) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL20764440 0.85 MEN1 (0.67) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL27671251 0.83 PRSS1 (0.62) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL6339534 0.83 SMN1; SMN2 (0.64) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL10956570 0.82 KMT2A (0.56) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL7563606 0.82 F2 (0.45) MEN1KMT2AMAPTALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0287036-B1 NEW PHARMACEUTICAL COMPOSITIONS COMPRISING ESTERS OR AMIDES AS ACTIVE INGREDIENTS ONO PHARMACEUTICAL CO., LTD. (JP) 1991-04-10 EP claimed
EP-0287036-A2 New pharmaceutical compositions comprising esters or amides as active ingredients ONO PHARMACEUTICAL CO., LTD. (JP) 1988-10-19 EP claimed
WO-2023148783-A1 PROCESS FOR THE PREPARATION OF NAFAMOSTAT, CAMOSTAT AND THEIR DERIVATIVES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2023-08-10 WO disclosed
US-10023544-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-07-17 US disclosed
US-10017487-B2 Fused heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-07-10 US disclosed
US-9975903-B2 Condensed heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-22 US disclosed
US-9969705-B2 Fused heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-15 US disclosed
US-9969709-B2 Guanidinobenzoic acid ester compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-15 US disclosed
US-20180072694-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-03-15 US disclosed
US-20170349605-A1 CONDENSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-12-07 US disclosed
US-20160355494-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-12-08 US disclosed
EP-1349841-A2 ANILINOPYRIMIDINE DERIVATIVES AS IKK INHIBITORS AND COMPOSITIONS AND METHODS RELATED THERETO SIGNAL PHARMACEUTICALS, INC. (US) 2003-10-08 EP disclosed
EP-1349840-A2 ANILINOPYRIMIDINE DERIVATIVES AS JNK PATHWAY INHIBITORS AND COMPOSITIONS AND METHODS RELATED THERETO SIGNAL PHARMACEUTICALS, INC. (US) 2003-10-08 EP disclosed
WO-2002046170-A2 ANILINOPYRIMIDINE DERIVATIVES AS JNK PATHWAY INHIBITORS AND COMPOSITIONS AND METHODS RELATED THERETO SIGNAL PHARMACEUTICALS, INC. (US) 2002-06-13 WO disclosed
WO-2002046171-A2 ANILINOPYRIMIDINE DERIVATIVES AS IKK INHIBITORS AND COMPOSITIONS AND METHODS RELATED THERETO SIGNAL PHARMACEUTICALS, INC. (US) 2002-06-13 WO disclosed
US-5110602-A Solution or suspension in middle chain glyceride to inhibit degradation by digestive enzymes ONO PHARMACEUTICAL CO., LTD. (JP) 1992-05-05 US disclosed
EP-0287036-B1 NEW PHARMACEUTICAL COMPOSITIONS COMPRISING ESTERS OR AMIDES AS ACTIVE INGREDIENTS ONO PHARMACEUTICAL CO., LTD. (JP) 1991-04-10 EP disclosed
US-5004612-A Dissolved in a middle chain glyceride of a fatty acid ONO PHARMACEUTICAL CO., LTD. (JP) 1991-04-02 US disclosed
US-4889723-A SUSPENDED OR DISSOLVED IN GLYCERIDE; STABILITY ONO PHARMACEUTICAL CO., LTD. (JP) 1989-12-26 US disclosed
EP-0287036-A2 New pharmaceutical compositions comprising esters or amides as active ingredients ONO PHARMACEUTICAL CO., LTD. (JP) 1988-10-19 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-20180072694-A1 FUSED HETEROCYCLIC COMPOUND VIP, DPP4, TMPRSS15 MEN1 1222/4885KMT2A 1239/4885MAPT 4491/4885
US-20160355494-A1 FUSED HETEROCYCLIC COMPOUND VIP, DPP4, TMPRSS15 MEN1 1441/4885KMT2A 2730/4885MAPT 4632/4885
US-10017487-B2 Fused heterocyclic compound VIP, DPP4, TMPRSS15 MEN1 1222/4885KMT2A 1239/4885MAPT 4491/4885
US-20170349605-A1 CONDENSED HETEROCYCLIC COMPOUND VIP, TMPRSS15, MMP2 MEN1 862/4885KMT2A 1181/4885MAPT 4104/4885
US-10023544-B2 Heterocyclic compound MMP2, DPP4, TMPRSS15 MEN1 1193/4885KMT2A 2541/4885MAPT 4628/4885

“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.