SCHEMBL245135

SCHEMBL245135

Cc1cccnc1SSc1ncccc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.50
NOS1 P29475 1/20 0.50
NOS2 P35228 1/20 0.50
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 2/20 0.41
PLAU P00749 1/20 0.41
KDM4E B2RXH2 1/20 0.41
RAB9A P51151 1/20 0.41
CYP2A6 P11509 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
HSP90AA1 P07900 1/20 0.39
MAPT P10636 1/20 0.38
LMNA P02545 1/20 0.38
METAP2 P50579 1/20 0.37
EHMT2 Q96KQ7 1/20 0.37
EHMT1 Q9H9B1 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
CCR1 P32246 1/20 0.36
CCR8 P51685 1/20 0.36
PSMD14 O00487 1/20 0.36

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
SCHEMBL5640712 0.83
Ammonia Solution, Strong SCHEMBL1845719 0.81 NOS3 (0.46) NOS3NOS1NOS2ALDH1A1NPC1
SCHEMBL245136 0.81
SCHEMBL7615368 0.81
SCHEMBL27013272 0.81
SCHEMBL14218666 0.81
SCHEMBL13402386 0.79 GABRA1 (0.35) NOS3NOS1NOS2ALDH1A1TSHR
SCHEMBL19041910 0.79 ALDH1A1 (0.37) NOS3NOS1NOS2ALDH1A1NPC1
SCHEMBL12048608 0.78 KDM4E (0.45) NOS3NOS1NOS2ALDH1A1NPC1
SCHEMBL1583838 0.78 NOS3 (0.43) NOS3NOS1NOS2ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070027310-A1 Novel ligands and methods for preparing same NATIONAL UNIVERSITY OF SINGAPORE (SG) 2007-02-01 US claimed
US-20040132981-A1 Novel ligands and methods for preparing same NATIONAL UNIVERSITY OF SINGAPORE (SG) 2004-07-08 US claimed
CN-1418111-A Novel Ligands and method for preparing same NAT UNIV SINGAPORE (SG) 2003-05-14 CN claimed
EP-1289561-A2 LIGAND CONJUGATES AND METHODS FOR PREPARING SAME NATIONAL UNIVERSITY OF SINGAPORE (SG) 2003-03-12 EP claimed
US-20010051348-A1 Novel ligands and methods for preparing same NATIONAL UNIVERSITY OF SINGAPORE (SG) 2001-12-13 US claimed
WO-2001054731-A2 LIGAND CONJUGATES AND METHODS FOR PREPARING SAME NATIONAL UNIVERSITY OF SINGAPORE (SG) 2001-08-02 WO claimed
CN-119455003-A Compositions, methods and uses comprising antibody-TLR agonist conjugates AMBRX公司 2025-02-18 CN disclosed
CN-119455004-A Compositions, methods and uses comprising antibody-TLR agonist conjugates AMBRX公司 2025-02-18 CN disclosed
CN-113660957-B Compositions, methods and uses comprising antibody-TLR agonist conjugates AMBRX公司 2024-12-13 CN disclosed
CN-118786140-A Anti-SARS-CoV-2 spike (S) antibodies and their use in treatment COVID-19 诺瓦瓦克斯股份有限公司 2024-10-15 CN disclosed
CN-117440833-A anti-HER 2 antibody-drug conjugates and uses thereof AMBRX公司 2024-01-23 CN disclosed
CN-109313200-B Bioanalytical methods for characterizing site-specific antibody-drug conjugates 豪夫迈·罗氏有限公司 2022-10-04 CN disclosed
CN-109071657-B Pharmaceutical compositions comprising bispecific antibody constructs 安进研发(慕尼黑)股份有限公司 2022-05-31 CN disclosed
WO-1999066030-A9 DAP-KINASE RELATED PROTEIN YEDA RES & DEV (IL) 2000-07-06 WO disclosed
EP-1016414-A2 Human growth hormone to stimulate hematopoiesis and immune reconstitution after hematopoietic stem cell transplantation in humans Applied Research Systems ARS Holding N.V. (AN) 2000-07-05 EP disclosed
EP-1016413-A1 Human growth hormone to stimulate mobilization of pluripotent hematopoietic stem cells Applied Research Systems ARS Holding N.V. (AN) 2000-07-05 EP disclosed
WO-1999066030-A1 DAP-KINASE RELATED PROTEIN YEDA RESEARCH AND DEVELOPMENT COMPANY LTD. (IL) 1999-12-23 WO disclosed
CN-1137826-A Method and compositions for treatment of BCR-ABL associated leukemias and other cell proliferative disorders NEW YORK UNIV MEDICAL CENTER (US) 1996-12-11 CN disclosed
CN-1047340-A Therapeutical agent BOOTS CO PLC (GB) 1990-11-28 CN disclosed
US-4009168-A STABILIZERS FOR POLYOLEFINS UBE INDUSTRIES, LTD. (JA) 1977-02-22 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 (3 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-20010051348-A1 Novel ligands and methods for preparing same ADGRF1, ADGRE5, TACR2 NOS3 4662/4885NOS1 4696/4885NOS2 4655/4885
US-20070027310-A1 Novel ligands and methods for preparing same ADGRF1, ADGRE5, TACR2 NOS3 4662/4885NOS1 4696/4885NOS2 4655/4885
US-20040132981-A1 Novel ligands and methods for preparing same ADGRF1, ADGRE5, TACR2 NOS3 4662/4885NOS1 4696/4885NOS2 4655/4885

“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.