SCHEMBL3117348

SCHEMBL3117348

Cc1cc(=O)n(-c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cn2)[nH]1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ MAPT P10636 7/20 0.55
▸ STAT3 P40763 1/20 0.55
▸ KCNQ3 O43525 1/20 0.53
▸ KCNQ2 O43526 1/20 0.53
▸ KCNE1 P15382 1/20 0.53
▸ KCNQ1 P51787 1/20 0.53
▸ KDM4E B2RXH2 3/20 0.52
▸ KIT P10721 1/20 0.50
▸ SLC11A2 P49281 1/20 0.48
▸ TRPV1 Q8NER1 3/20 0.47
▸ MCHR1 Q99705 2/20 0.47
▸ RAB9A P51151 2/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ CRACR2A Q9BSW2 1/20 0.44

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
SCHEMBL3117290 0.90 TRPV1 (0.47) SMN1; SMN2MAPTTRPV1RAB9AL3MBTL1
SCHEMBL3109283 0.90 PTPN1 (0.51) SMN1; SMN2MAPTKCNQ3KCNQ2KCNE1
SCHEMBL3120279 0.89 RAB9A (0.57) SMN1; SMN2MAPTKDM4ERAB9AL3MBTL1
SCHEMBL3122154 0.88 LMNA (0.52) SMN1; SMN2MAPTTRPV1RAB9A
SCHEMBL3116564 0.87 PTPN1 (0.50) SMN1; SMN2MAPTKCNQ3KCNQ2KDM4E
SCHEMBL3116048 0.85 P4HTM (0.54) SMN1; SMN2MAPTKDM4ERAB9AL3MBTL1
SCHEMBL3107074 0.84 CYP11B1 (0.46) MAPTRAB9AL3MBTL1CYP1A2CYP2C19
SCHEMBL3117708 0.82 KCNQ3 (0.56) SMN1; SMN2MAPTKCNQ3KCNQ2KCNE1
SCHEMBL14609472 0.80 KDM5A (0.41) SMN1; SMN2MAPTKDM4ETRPV1RAB9A
SCHEMBL14609473 0.80 ULK1 (0.47) MAPTKCNQ3KCNQ2KCNE1KCNQ1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100179161-A1 PYRAZOLINE DERIVATIVES FOR THE TREATMENT OF TURBERCULOSIS ASTRAZENECA AB (SE) 2010-07-15 — — US disclosed
US-20100179161-A1 PYRAZOLINE DERIVATIVES FOR THE TREATMENT OF TURBERCULOSIS ASTRAZENECA AB (SE) 2010-07-15 — — US disclosed
US-20100179161-A1 PYRAZOLINE DERIVATIVES FOR THE TREATMENT OF TURBERCULOSIS ASTRAZENECA AB (SE) 2010-07-15 — — US disclosed
CN-101291923-A Pyrazolone derivatives for the treatment of tuberculosis ASTRAZENECA AB (SE) 2008-10-22 — — CN disclosed
EP-1919890-A1 PYRAZOLONE DERIVATIVES FOR THE TREATMENT OF TUBERCULOSIS AstraZeneca AB (SE) 2008-05-14 — — EP disclosed
WO-2007020426-A1 PYRAZOLONE DERIVATIVES FOR THE TREATMENT OF TUBERCULOSIS ASTRAZENECA AB (SE) 2007-02-22 — — 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 (1 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-20100179161-A1 PYRAZOLINE DERIVATIVES FOR THE TREATMENT OF TURBERCULOSIS TREH, TYMP, EPX SMN1; SMN2 2744/4885MAPT 1211/4885STAT3 4264/4885

“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.

Send feedback