SCHEMBL7424494

SCHEMBL7424494

CCn1cc(C(=O)OC)nn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
MGAM O43451 1/20 0.48
GAA P10253 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
GLA P06280 1/20 0.47
MAPK1 P28482 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 1/20 0.45
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
NOTUM Q6P988 2/20 0.43
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL5655219 0.86 ALDH1A1 (0.47) ALDH1A1LMNAMGAMGAASI
SCHEMBL12416491 0.86 ALDH1A1 (0.47) ALDH1A1LMNAMGAMGAASI
SCHEMBL3275528 0.86 MGAM (0.48) ALDH1A1LMNAMGAMGAASI
SCHEMBL16093587 0.84 ALDH1A1 (0.67) ALDH1A1LMNAGAAGLAMAPK1
SCHEMBL17193769 0.83 ALDH1A1 (0.45) ALDH1A1LMNAMGAMGAASI
SCHEMBL2027803 0.83 MGAM (0.46) ALDH1A1LMNAMGAMGAASI
SCHEMBL22623634 0.81 ALDH1A1 (0.46) ALDH1A1LMNAMGAMGAASI
SCHEMBL12197531 0.81 MGAM (0.45) ALDH1A1LMNAMGAMGAASI
SCHEMBL15775618 0.81 MGAM (0.45) ALDH1A1LMNAMGAMGAASI
Hydrochloric Acid SCHEMBL15775617 0.80 MGAM (0.44) ALDH1A1LMNAMGAMGAASI

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160016998-A1 HIGH-AFFINITY MATRIPTASE INHIBITORS MERCK PATENT GMBH (DE) 2016-01-21 US disclosed
US-20160016998-A1 HIGH-AFFINITY MATRIPTASE INHIBITORS MERCK PATENT GMBH (DE) 2016-01-21 US disclosed
US-8329916-B2 Human protein tyrosine phosphatase inhibitors and method of use AERPIO THERAPEUTICS INC. (US) 2012-12-11 US disclosed
US-20120077975-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHOD OF USE EyePoint Pharmaceuticals, Inc. 2012-03-29 US disclosed
US-20100068211-A1 USE OF ANTIRESORPTIVE COMPOUNDS TO PREVENT IONIZING RADIATION-INDUCED ACTIVATION OF OSTEOCLASTS AND RESULTING BONE LOSS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-03-18 US disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 US disclosed
EP-0986562-B1 SUBSTITUTED 1,2,4-TRIAZOLO 3,4-A]PHTHALAZINE DERIVATIVES AS GABA ALPHA 5 LIGANDS MERCK SHARP & DOHME (GB) 2002-08-07 EP disclosed
US-6310203-B1 Precursor compounds to substituted 1,2,4-triazolo[3,4,-a]phathalazine GABA alpha 5 ligands MERCK SHARPE & DOHME LIMITED (GB) 2001-10-30 US disclosed
US-6200975-B1 FOR COGNITION ENHANCEMENT THERAPY MERCK SHARP & DOHME LIMITED (GB) 2001-03-13 US disclosed
EP-0986562-A1 SUBSTITUTED 1,2,4-TRIAZOLO 3,4-A]PHTHALAZINE DERIVATIVES AS GABA ALPHA 5 LIGANDS MERCK SHARP & DOHME LTD. (GB) 2000-03-22 EP disclosed
WO-1998050385-A1 SUBSTITUTED 1,2,4-TRIAZOLO[3,4-a]PHTHALAZINE DERIVATIVES AS GABA ALPHA 5 LIGANDS MERCK SHARP & DOHME LIMITED (GB) 1998-11-12 WO 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 (4 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-20120077975-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHOD OF USE PTPRCAP, PPP5C, PTPRO ALDH1A1 4348/4885LMNA 4502/4885MGAM 3040/4885
US-20160016998-A1 HIGH-AFFINITY MATRIPTASE INHIBITORS MMP7, MATR3, TMPRSS15 ALDH1A1 4072/4885LMNA 2335/4885MGAM 451/4885
US-20080132503-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 ALDH1A1 796/4885LMNA 1922/4885MGAM 2111/4885
US-20100068211-A1 USE OF ANTIRESORPTIVE COMPOUNDS TO PREVENT IONIZING RADIATION-INDUCED ACTIVATION OF OSTEOCLASTS AND RESULTING BONE LOSS CTSA, SOST, CTSB ALDH1A1 4434/4885LMNA 1974/4885MGAM 1819/4885

“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.