SCHEMBL3117708

SCHEMBL3117708

Cc1cc(=O)n(-c2ccc(NC(=O)c3cccc(F)c3)cn2)[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNQ3 O43525 2/20 0.56
▸ KCNQ2 O43526 2/20 0.56
▸ KCNE1 P15382 1/20 0.56
▸ KCNQ1 P51787 1/20 0.56
▸ RAB9A P51151 6/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ KCNQ5 Q9NR82 1/20 0.52
▸ NPC1 O15118 6/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ MEN1 O00255 5/20 0.50
▸ KMT2A Q03164 5/20 0.50
▸ POLB P06746 2/20 0.50
▸ BRAF P15056 1/20 0.48
▸ KCNK3 O14649 1/20 0.47
▸ KCNK9 Q9NPC2 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ DYRK3 O43781 1/20 0.47
▸ ROCK2 O75116 1/20 0.47
▸ MAP4K4 O95819 1/20 0.47
▸ RPS6KB1 P23443 1/20 0.47

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
SCHEMBL3109283 0.89 PTPN1 (0.51) KCNQ3KCNQ2KCNE1KCNQ1RAB9A
SCHEMBL3116564 0.88 PTPN1 (0.50) KCNQ3KCNQ2RAB9AALDH1A1NPC1
SCHEMBL14609473 0.88 ULK1 (0.47) KCNQ3KCNQ2KCNE1KCNQ1ALDH1A1
SCHEMBL3117426 0.86 ORAI1 (0.60) RAB9AALDH1A1NPC1KDM4EMEN1
SCHEMBL3117351 0.85 BRAF (0.50) KDM4EBRAFMAPT
SCHEMBL3120279 0.84 RAB9A (0.57) RAB9AALDH1A1NPC1KDM4EMEN1
SCHEMBL3117348 0.82 SMN1; SMN2 (0.58) KCNQ3KCNQ2KCNE1KCNQ1RAB9A
SCHEMBL3121975 0.82 P4HTM (0.52) RAB9AALDH1A1NPC1KDM4EMEN1
SCHEMBL3117290 0.81 TRPV1 (0.47) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL3116048 0.80 P4HTM (0.54) RAB9AALDH1A1NPC1KDM4EMEN1

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-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
US-20100179153-A1 Bicyclic S1P Receptor Modulators NOVARTIS AG (CH) 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
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 (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-20100179153-A1 Bicyclic S1P Receptor Modulators S1PR1, S1PR2, S1PR5 KCNQ3 1415/4885KCNQ2 1326/4885KCNE1 1026/4885
US-20100179161-A1 PYRAZOLINE DERIVATIVES FOR THE TREATMENT OF TURBERCULOSIS TREH, TYMP, EPX KCNQ3 2202/4885KCNQ2 2304/4885KCNE1 3095/4885

“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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