SCHEMBL182274

SCHEMBL182274

O=C(OCc1ccccc1)c1cccc(-c2nn(-c3ccc(F)cc3F)c(=O)o2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.56
SMN1; SMN2 Q16637 6/20 0.56
NPC1 O15118 6/20 0.56
ALDH1A1 P00352 4/20 0.56
KDM4E B2RXH2 2/20 0.56
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP3A4 P08684 1/20 0.50
HPGD P15428 1/20 0.49
MAPT P10636 6/20 0.48
TDP1 Q9NUW8 3/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
POLB P06746 1/20 0.46
JMJD6 Q6NYC1 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL182370 0.84 MAPK14 (0.43) RAB9ANPC1L3MBTL1
SCHEMBL17125343 0.73 MAPK14 (0.44) RAB9ANPC1L3MBTL1
SCHEMBL20119309 0.71 TDP1 (0.69) RAB9ASMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL32664886 0.70 RAB9A (0.75) RAB9ASMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL27957337 0.70 RAB9A (0.75) RAB9ASMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL522838 0.67 ALDH1A1 (0.57) RAB9AALDH1A1KDM4ECYP3A4MAPT
SCHEMBL312910 0.67 TDP1 (0.81) RAB9ASMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL5933252 0.66 PTGER1 (0.66) RAB9ASMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL28117924 0.66 KMT2A (0.69) RAB9ASMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL5335214 0.66 MAPT (0.63) RAB9ASMN1; SMN2NPC1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150274674-A1 PYRAZOLE OR TRIAZOLE COMPOUNDS AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING SOMATIC MUTATION-RELATED DISEASES PTC THERAPEUTICS, INC. (US) 2015-10-01 US disclosed
US-9051342-B2 Pyrazole or triazole compounds and their use for the manufacture of a medicament for treating somatic mutation related diseases PTC THERAPEUTICS, INC. (US) 2015-06-09 US disclosed
EP-2402323-A2 Pyrazole or triazole compounds and their use for the manufacture of a medicament for treating somatic mutation-related diseases PTC Therapeutics, Inc. (US) 2012-01-04 EP disclosed
EP-2363129-A1 Pyrazole or triazole compounds and their use for the manufacture of a medicament for treating somatic mutation-related diseases PTC Therapeutics, Inc. (US) 2011-09-07 EP disclosed
EP-2316452-A1 Pyrrol derivatives, uses thereof PTC Therapeutics, Inc. (US) 2011-05-04 EP disclosed
US-20080280869-A1 Pyrazole or Triazole Compounds and Their Use for the Manufacture of a Medicament for Treating Somatic Mutation-Related Diseases PTC THERAPEUTICS, INC. 2008-11-13 US disclosed
EP-1799207-A2 PYRAZOLE OR TRIAZOLE COMPOUNDS AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING SOMATIC MUTATION-RELATED DISEASES PTC Therapeutics, Inc. (US) 2007-06-27 EP disclosed
WO-2006044502-A2 PYRAZOLE OR TRIAZOLE COMPOUNDS AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING SOMATIC MUTATION-RELATED DISEASES PTC THERAPEUTICS, INC. (US) 2006-04-27 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 (2 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-20080280869-A1 Pyrazole or Triazole Compounds and Their Use for the Manufacture of a Medicament for Treating Somatic Mutation-Related Diseases UPF1, RNMT, VHL RAB9A 3615/4885SMN1; SMN2 997/4885NPC1 1560/4885
US-20150274674-A1 PYRAZOLE OR TRIAZOLE COMPOUNDS AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING SOMATIC MUTATION-RELATED DISEASES UPF1, RNMT, VHL RAB9A 3615/4885SMN1; SMN2 997/4885NPC1 1560/4885

“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.