SCHEMBL3109283

SCHEMBL3109283

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 2/20 0.51
▸ PTPN6 P29350 1/20 0.51
▸ PTPN11 Q06124 1/20 0.51
▸ KCNQ3 O43525 4/20 0.50
▸ KCNQ2 O43526 4/20 0.50
▸ KCNE1 P15382 1/20 0.50
▸ KCNQ1 P51787 1/20 0.50
▸ BACE1 P56817 1/20 0.50
▸ P4HTM Q9NXG6 1/20 0.49
▸ RAB9A P51151 3/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ KDM5A P29375 1/20 0.46
▸ KDM2B Q8NHM5 1/20 0.46

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
SCHEMBL3120279 0.92 RAB9A (0.57) P4HTMRAB9ACYP1A2CYP2C19L3MBTL1
SCHEMBL3117348 0.90 SMN1; SMN2 (0.58) KCNQ3KCNQ2KCNE1KCNQ1RAB9A
SCHEMBL3116564 0.90 PTPN1 (0.50) PTPN1KCNQ3KCNQ2P4HTMRAB9A
SCHEMBL3117708 0.89 KCNQ3 (0.56) KCNQ3KCNQ2KCNE1KCNQ1RAB9A
SCHEMBL3117290 0.89 TRPV1 (0.47) RAB9ACYP1A2CYP2C19L3MBTL1KMT2A
SCHEMBL3116048 0.88 P4HTM (0.54) P4HTMRAB9ACYP1A2CYP2C19L3MBTL1
SCHEMBL3107074 0.87 CYP11B1 (0.46) RAB9ACYP1A2CYP2C19L3MBTL1KMT2A
SCHEMBL3122154 0.87 LMNA (0.52) RAB9AKMT2AMAPTSMN1; SMN2NPC1
SCHEMBL3121975 0.84 P4HTM (0.52) PTPN1P4HTMRAB9ACYP1A2L3MBTL1
SCHEMBL14609473 0.83 ULK1 (0.47) KCNQ3KCNQ2KCNE1KCNQ1KMT2A

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 PTPN1 4503/4885PTPN6 4723/4885PTPN11 4434/4885

“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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