SCHEMBL1752087

SCHEMBL1752087

O=C(O)c1cnn(-c2ccccc2)n1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.53
HDAC1 Q13547 2/20 0.51
ALDH1A1 P00352 3/20 0.50
HPGD P15428 3/20 0.50
TSHR P16473 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
RPA1 P27694 1/20 0.45
HPGDS O60760 1/20 0.44
ALKBH2 Q6NS38 1/20 0.44
NTRK1 P04629 1/20 0.44
NTRK2 Q16620 1/20 0.44
ELOVL1 Q9BW60 1/20 0.43
ADAMTS7 Q9UKP4 1/20 0.43

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
SCHEMBL6399279 0.85 KDM4E (0.56) P2RX7HDAC1ALDH1A1HPGDTSHR
SCHEMBL23367219 0.85 RPA1 (0.40) P2RX7HDAC1ALDH1A1HPGDTSHR
SCHEMBL28090836 0.84 HDAC1 (0.51) P2RX7HDAC1ALDH1A1HPGDTSHR
SCHEMBL2327827 0.84 KMT2A (0.47) P2RX7HDAC1NPC1RAB9AKDM4E
SCHEMBL11378183 0.84 ADAMTS7 (0.45) P2RX7HDAC1ALDH1A1NPC1RAB9A
SCHEMBL23354766 0.84 ALDH1A1 (0.46) P2RX7HDAC1ALDH1A1HPGDTSHR
SCHEMBL18910106 0.84 HDAC1 (0.39) P2RX7HDAC1ALDH1A1HPGDTSHR
SCHEMBL15577164 0.84 RPA1 (0.49) HDAC1TSHRNPC1RAB9AMEN1
SCHEMBL15577228 0.83 PKM (0.56) ALDH1A1NPC1RAB9AKDM4EMEN1
SCHEMBL28070463 0.82 KMT2A (0.46) P2RX7HDAC1NPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6946462-B2 N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2005-09-20 US claimed
US-6869953-B2 N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents HOFFMAN-LA ROCHE INC. (US) 2005-03-22 US claimed
US-20050043292-A1 Fluorinated lysine derivatives as dipeptidyl peptidase IV inhibitors PFIZER INC 2005-02-24 US claimed
US-20040192744-A1 N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents HAAG RAINER (DE) 2004-09-30 US claimed
US-20030139404-A1 N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2003-07-24 US claimed
US-20240262832-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2024-08-08 US disclosed
WO-2024108147-A1 COMPOUNDS, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2024-05-23 WO disclosed
EP-4329881-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF Vanqua Bio, Inc. (US) 2024-03-06 EP disclosed
CN-117642404-A Small molecule modulators of glucocerebrosidase activity and uses thereof 凡况生化公司 2024-03-01 CN disclosed
US-20230027985-A1 SUBSTITUTED HYDANTOINAMIDES AS ADAMTS7 ANTAGONISTS BAYER AKTIENGESELLSCHAFT (DE) 2023-01-26 US disclosed
US-20230027985-A1 SUBSTITUTED HYDANTOINAMIDES AS ADAMTS7 ANTAGONISTS BAYER AKTIENGESELLSCHAFT (DE) 2023-01-26 US disclosed
WO-2022232383-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2022-11-03 WO disclosed
WO-2008130319-A2 NOVEL N-TETRAHYDRONAPHTALENE OR N-CHROMANE CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2008-10-30 WO disclosed
US-20080171741-A1 HETEROCYCLIC AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-07-17 US disclosed
WO-2008057775-A2 HETEROCYCLIC AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-15 WO disclosed
EP-1713778-B1 BENZAZEPINE DERIVATIVES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2008-01-16 EP disclosed
US-6946462-B2 N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2005-09-20 US disclosed
US-6869953-B2 N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents HOFFMAN-LA ROCHE INC. (US) 2005-03-22 US disclosed
WO-2005019168-A2 FLUORINATED LYSINE DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS PFIZER PRODUCTS INC. (US) 2005-03-03 WO disclosed
US-20050043292-A1 Fluorinated lysine derivatives as dipeptidyl peptidase IV inhibitors PFIZER INC 2005-02-24 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 (6 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-20080171741-A1 HETEROCYCLIC AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS MAP3K1, MAP3K8, MAP3K20 P2RX7 2379/4885HDAC1 144/4885ALDH1A1 1140/4885
US-20050043292-A1 Fluorinated lysine derivatives as dipeptidyl peptidase IV inhibitors DPP4, DPP7, ALPI P2RX7 2039/4885HDAC1 234/4885ALDH1A1 313/4885
US-20040192744-A1 N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents NAT1, CYP1A1, UGT1A1 P2RX7 1252/4885HDAC1 345/4885ALDH1A1 198/4885
US-20230027985-A1 SUBSTITUTED HYDANTOINAMIDES AS ADAMTS7 ANTAGONISTS ADAMTS7, MMP7, ADAMTS1 P2RX7 604/4885HDAC1 615/4885ALDH1A1 2009/4885
US-20240262832-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF GBA1, GAA, GBA2 P2RX7 2187/4885HDAC1 371/4885ALDH1A1 1938/4885
US-20030139404-A1 N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents NAT1, CYP1A1, UGT1A1 P2RX7 1252/4885HDAC1 345/4885ALDH1A1 198/4885

“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.