SCHEMBL2848443

SCHEMBL2848443

COc1ccc(-c2cc(C(N)=O)[nH]n2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 3/20 0.76
CA9 Q16790 1/20 0.76
MAPT P10636 7/20 0.74
ALDH1A1 P00352 5/20 0.74
LMNA P02545 2/20 0.74
RAB9A P51151 5/20 0.74
NPC1 O15118 4/20 0.74
SMN1; SMN2 Q16637 1/20 0.74
L3MBTL1 Q9Y468 1/20 0.67
ACR P10323 2/20 0.64
HDAC3 O15379 2/20 0.61
HDAC4 P56524 2/20 0.61
HDAC1 Q13547 2/20 0.61
HDAC7 Q8WUI4 2/20 0.61
HDAC2 Q92769 2/20 0.61
HDAC10 Q969S8 2/20 0.61
HDAC11 Q96DB2 2/20 0.61
HDAC8 Q9BY41 2/20 0.61
HDAC6 Q9UBN7 2/20 0.61
HDAC9 Q9UKV0 2/20 0.61

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
SCHEMBL14152359 0.86 ALPL (1.00) ALPLCA9MAPTALDH1A1LMNA
SCHEMBL1414008 0.85 MAPT (1.00) ALPLCA9MAPTALDH1A1LMNA
SCHEMBL11982068 0.84 MAPT (0.76) ALPLCA9MAPTALDH1A1LMNA
SCHEMBL29444415 0.83 ALPL (0.73) ALPLCA9MAPTALDH1A1LMNA
SCHEMBL27028221 0.81 SCN9A (0.60) ALPLCA9MAPTALDH1A1LMNA
SCHEMBL2888912 0.80 MAPT (1.00) ALPLCA9MAPTALDH1A1LMNA
SCHEMBL4638840 0.80 ALPL (0.73) ALPLACRHDAC3HDAC4HDAC1
SCHEMBL2846632 0.80 ALPL (0.73) ALPLMAPTALDH1A1ACRHPGD
SCHEMBL18726258 0.80 ACR (0.57) ALPLCA9MAPTALDH1A1LMNA
SCHEMBL2789578 0.79 TP53 (0.74) ALPLMAPTALDH1A1L3MBTL1ACR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114057646-B Pyrazole derivative and application thereof in preparation of antitumor drugs 常州大学 2023-05-02 CN disclosed
CN-114057646-A Pyrazole derivative and application thereof in preparation of antitumor drugs 常州大学 2022-02-18 CN disclosed
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS WYETH (US) 2010-05-27 US disclosed
US-20100029606-A1 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF WYETH (US) 2010-02-04 US disclosed
WO-2010009290-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS WYETH (US) 2010-01-21 WO disclosed
EP-2118067-A1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS Siena Biotech S.p.A. (IT) 2009-11-18 EP disclosed
US-20090264648-A1 SYNTHESIS OF PYRAZOLES WYETH (US) 2009-10-22 US disclosed
WO-2009091832-A1 SYNTHESIS OF PYRAZOLES WYETH (US) 2009-07-23 WO disclosed
WO-2009091831-A1 COMPOUND FORMS AND USES THEREOF WYETH (US) 2009-07-23 WO disclosed
WO-2009091813-A1 COMPOUNDS USEFUL AS ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS WYETH (US) 2009-07-23 WO disclosed
US-20090181953-A1 COMPOUND FORMS AND USES THEREOF WYETH (US) 2009-07-16 US disclosed
US-20090181952-A1 COMPOUNDS USEFUL AS ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS WYETH (US) 2009-07-16 US disclosed
WO-2008087529-A1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS SIENA BIOTECH S.P.A. (IT) 2008-07-24 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 (5 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-20090181953-A1 COMPOUND FORMS AND USES THEREOF REN, PKD1, RCC1 ALPL 2169/4885CA9 27/4885MAPT 1131/4885
US-20100029606-A1 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF CHRNA7, CHRNA2, CHRNA6 ALPL 3280/4885CA9 4020/4885MAPT 933/4885
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS CHRNA7, CHRNA6, CHRNA2 ALPL 4210/4885CA9 3775/4885MAPT 501/4885
US-20090181952-A1 COMPOUNDS USEFUL AS ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS CHRNA7, CHRNA2, CHRNA6 ALPL 3768/4885CA9 4025/4885MAPT 505/4885
US-20090264648-A1 SYNTHESIS OF PYRAZOLES CHRNA7, CHRNA5, CHRNA3 ALPL 3888/4885CA9 4357/4885MAPT 404/4885

“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.