SCHEMBL3117290

SCHEMBL3117290

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 4/20 0.47
▸ NAMPT P43490 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ HDAC3 O15379 1/20 0.45
▸ HDAC11 Q96DB2 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ KDM5A P29375 1/20 0.45
▸ KDM2B Q8NHM5 1/20 0.45
▸ KDM4C Q9H3R0 1/20 0.45
▸ GALR3 O60755 1/20 0.44
▸ MAPK1 P28482 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
SCHEMBL3117348 0.90 SMN1; SMN2 (0.58) TRPV1RAB9ASMN1; SMN2L3MBTL1CYP1A2
SCHEMBL3120279 0.90 RAB9A (0.57) NAMPTMEN1KMT2ARAB9ANPC1
SCHEMBL14609472 0.89 KDM5A (0.41) TRPV1NAMPTMEN1KMT2ARAB9A
SCHEMBL3109283 0.89 PTPN1 (0.51) KMT2ARAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL3116564 0.88 PTPN1 (0.50) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL3116048 0.86 P4HTM (0.54) NAMPTMEN1KMT2ARAB9ANPC1
SCHEMBL3107074 0.85 CYP11B1 (0.46) MEN1KMT2ARAB9ANPC1L3MBTL1
SCHEMBL3122154 0.85 LMNA (0.52) TRPV1MEN1KMT2ARAB9ANPC1
SCHEMBL3117708 0.81 KCNQ3 (0.56) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL14609473 0.81 ULK1 (0.47) KMT2AMAPTKDM5AKDM2BKDM4C

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 5 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
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 TRPV1 2392/4885NAMPT 671/4885MEN1 3052/4885

“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.

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