SCHEMBL2961075

SCHEMBL2961075

COC(=O)c1ccc(-c2nn(Cc3ccccc3)c3cc(C)ccc23)o1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 9/20 0.70
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 2/20 0.50
TP53 P04637 2/20 0.50
RAB9A P51151 2/20 0.50
CYP1A2 P05177 2/20 0.50
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 1/20 0.50
GMNN O75496 1/20 0.50
LMNA P02545 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C9 P11712 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
NFKB1 P19838 1/20 0.50
MAPK1 P28482 1/20 0.50
CYP2C19 P33261 1/20 0.50
BLM P54132 1/20 0.50

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
SCHEMBL7494265 0.90 PDE5A (0.73) PDE5ASMN1; SMN2ALDH1A1TP53RAB9A
SCHEMBL27513403 0.90 PDE5A (0.56) PDE5ASMN1; SMN2ALDH1A1TP53RAB9A
SCHEMBL14264654 0.90 PDE5A (0.63) PDE5ASMN1; SMN2ALDH1A1TP53RAB9A
SCHEMBL4840627 0.89 PDE5A (0.73) PDE5ASMN1; SMN2ALDH1A1TP53RAB9A
SCHEMBL2950681 0.89 PDE5A (0.70) PDE5ASMN1; SMN2ALDH1A1TP53RAB9A
SCHEMBL1898458 0.88 PDE5A (0.67) PDE5ASMN1; SMN2ALDH1A1TP53RAB9A
SCHEMBL8484400 0.86 PDE5A (0.53) PDE5ASMN1; SMN2ALDH1A1TP53RAB9A
SCHEMBL3239696 0.82 PDE5A (0.52) PDE5ASMN1; SMN2ALDH1A1TP53RAB9A
SCHEMBL2956590 0.82 PDE5A (1.00) PDE5ASMN1; SMN2ALDH1A1TP53RAB9A
SCHEMBL3245414 0.81 F2RL3 (0.67) PDE5ASMN1; SMN2ALDH1A1TP53RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030171403-A1 Blockade of voltage dependent sodium channels UNIVERSITY COLLEGE LONDON (GB) 2003-09-11 US claimed
US-7790761-B2 Blockade of voltage dependent sodium channels UNIVERSITY COLLEGE LONDON (GB) 2010-09-07 US disclosed
US-7754751-B2 Preferential inhibition of release of pro-inflammatory cytokines YUNG SHIN PHARMACEUTICAL IND. CO., LTD. (TW) 2010-07-13 US disclosed
US-20060100248-A1 Blockade of voltage dependent sodium channels GARTHWAITE GITI 2006-05-11 US disclosed
US-7009056-B2 Blockade of voltage dependent sodium channels UNIVERSITY COLLEGE LONDON (GB) 2006-03-07 US disclosed
US-20050215613-A1 Preferential inhibition of release of pro-inflammatory cytokines YUNG SHIN PHARMACEUTICAL IND. CO., LTD. (TW) 2005-09-29 US disclosed
EP-1576954-A1 Preferential inhibition of release of pro-inflammatory cytokines Yung Shin Pharm. Ind. Co. Ltd. (TW) 2005-09-21 EP disclosed
US-20030171403-A1 Blockade of voltage dependent sodium channels UNIVERSITY COLLEGE LONDON (GB) 2003-09-11 US disclosed
US-6387942-B2 PYRAZOLYL COMPOUND; ANTICOAGULANTS, ANTIPROLIFERATIVE AGENT YUNG SHIN PHARMACEUTICAL IND. CO. LTD (TW) 2002-05-14 US disclosed
CN-1331076-A Fused pyrazolyl compounds, compositions containing the same, and uses of the compounds YONGXIN MEDICINE INDUSTRY CO L (CN) 2002-01-16 CN disclosed
US-20020004518-A1 Method of treating disorders related to protease-activated receptors-induced cell activation YUNG SHIN PHARMACEUTICAL IND. CO., LTD. (TW) 2002-01-10 US disclosed
EP-1166785-A1 Use of pyrazole derivatives for inhibiting thrombin-induced platelet aggregation Yung Shin Pharmeutical Ind. Co., Ltd. (TW) 2002-01-02 EP disclosed
EP-0667345-B1 1-Benzyl-3-(substituted aryl)-condensed pyrazole derivatives as inhibitors of platelet aggregation YUNG SHIN PHARM IND CO LTD (TW) 1999-09-29 EP disclosed
US-5574168-A ANTICOAGULANTS YUNG SHIN PHARM. IND. CO., LTD. (TW) 1996-11-12 US disclosed
EP-0667345-A1 1-Benzyl-3-(substituted aryl)-condensed pyrazole derivatives as inhibitors of platelet aggregation Yung Shin Pharm. Ind. Co. Ltd. (TW) 1995-08-16 EP 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 (4 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-20030171403-A1 Blockade of voltage dependent sodium channels CACNA1F, SCNN1B, CACNA1B PDE5A 255/4885SMN1; SMN2 754/4885ALDH1A1 1123/4885
US-20060100248-A1 Blockade of voltage dependent sodium channels CACNA1I, CACNA1F, CACNA1C PDE5A 250/4885SMN1; SMN2 702/4885ALDH1A1 1193/4885
US-20050215613-A1 Preferential inhibition of release of pro-inflammatory cytokines IL1RN, IL1R1, NFRKB PDE5A 2439/4885SMN1; SMN2 3023/4885ALDH1A1 3052/4885
US-20020004518-A1 Method of treating disorders related to protease-activated receptors-induced cell activation F2R, HPN, F2RL1 PDE5A 3372/4885SMN1; SMN2 1211/4885ALDH1A1 2860/4885

“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.