SCHEMBL1898458

SCHEMBL1898458

COC(=O)c1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 10/20 0.67
KDM4E B2RXH2 2/20 0.64
ALDH1A1 P00352 2/20 0.64
LMNA P02545 2/20 0.64
HPGD P15428 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
CYP1A2 P05177 2/20 0.64
CYP3A4 P08684 2/20 0.64
CYP2D6 P10635 2/20 0.64
MAPK1 P28482 2/20 0.64
NPC1 O15118 1/20 0.64
GMNN O75496 1/20 0.64
TP53 P04637 1/20 0.64
MAPT P10636 1/20 0.64
CYP2C9 P11712 1/20 0.64
ALOX15 P16050 1/20 0.64
NFKB1 P19838 1/20 0.64
CYP2C19 P33261 1/20 0.64
RAB9A P51151 1/20 0.64
BLM P54132 1/20 0.64

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
SCHEMBL3245414 0.90 F2RL3 (0.67) PDE5AKDM4EALDH1A1LMNAHPGD
SCHEMBL5368291 0.89 PDE5A (0.62) PDE5AKDM4EALDH1A1LMNAHPGD
SCHEMBL3077928 0.88 PDE5A (0.70) PDE5AKDM4EALDH1A1LMNAHPGD
SCHEMBL3205820 0.88 PDE5A (0.58) PDE5AKDM4EALDH1A1LMNAHPGD
SCHEMBL2961075 0.88 PDE5A (0.70) PDE5AKDM4EALDH1A1LMNAHPGD
SCHEMBL14264654 0.88 PDE5A (0.63) PDE5AKDM4EALDH1A1LMNAHPGD
SCHEMBL1900992 0.88 PDE5A (0.70) PDE5AKDM4EALDH1A1LMNAHPGD
SCHEMBL5365656 0.87 PDE5A (0.65) PDE5AKDM4EALDH1A1LMNAHPGD
SCHEMBL2950681 0.87 PDE5A (0.70) PDE5AKDM4EALDH1A1LMNAHPGD
SCHEMBL4840627 0.87 PDE5A (0.73) PDE5AKDM4EALDH1A1LMNAHPGD

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1252156-B1 BLOCKADE OF VOLTAGE DEPENDENT SODIUM CHANNELS UCL BUSINESS PLC (GB) 2011-05-04 EP disclosed
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
EP-1512401-B1 Enhancement of bone growth and inhibition of bone resorption YUNG SHIN PHARMACEUTICAL IND (TW) 2010-03-17 EP disclosed
EP-1512400-B1 Treatment of neurodegenerative diseases CARLSBAD TECHNOLOGY INC (US) 2010-03-10 EP disclosed
EP-1425011-B1 ENHANCEMENT OF LEARNING AND MEMORY AND TREATMENT OF AMNESIA CARLSBAD TECHNOLOGY INC (US) 2009-11-04 EP disclosed
US-7378532-B2 Fused pyrazolyl compound YUNG SHIN PHARMACEUTICAL IND. CO., LTD. (TW) 2008-05-27 US disclosed
US-7378532-B2 Fused pyrazolyl compound YUNG SHIN PHARMACEUTICAL IND. CO., LTD. (TW) 2008-05-27 US disclosed
US-7378532-B2 Fused pyrazolyl compound YUNG SHIN PHARMACEUTICAL IND. CO., LTD. (TW) 2008-05-27 US disclosed
EP-1425011-A4 ENHANCEMENT OF LEARNING AND MEMORY AND TREATMENT OF AMNESIA CARLSBAD TECHNOLOGY INC (US) 2007-09-19 EP disclosed
US-20030171403-A1 Blockade of voltage dependent sodium channels UNIVERSITY COLLEGE LONDON (GB) 2003-09-11 US disclosed
US-20030105149-A1 Enhancement of learning and memory and treatment of amnesia CARLSBAD TECHNOLOGY, INC. 2003-06-05 US disclosed
WO-2003024397-A2 ENHANCEMENT OF LEARNING AND MEMORY AND TREATMENT OF AMNESIA CARLSBAD TECHNOLOGY, INC. (US) 2003-03-27 WO disclosed
EP-1252156-A1 BLOCKADE OF VOLTAGE DEPENDENT SODIUM CHANNELS University College London (GB) 2002-10-30 EP disclosed
US-6387942-B2 PYRAZOLYL COMPOUND; ANTICOAGULANTS, ANTIPROLIFERATIVE AGENT YUNG SHIN PHARMACEUTICAL IND. CO. LTD (TW) 2002-05-14 US 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
WO-2001057024-A1 BLOCKADE OF VOLTAGE DEPENDENT SODIUM CHANNELS UNIVERSITY COLLEGE LONDON (GB) 2001-08-09 WO 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
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 (3 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 255/4885KDM4E 2368/4885ALDH1A1 1123/4885
US-20030105149-A1 Enhancement of learning and memory and treatment of amnesia NR1H3, NR1H2, RORA PDE5A 4531/4885KDM4E 3980/4885ALDH1A1 1070/4885
US-20020004518-A1 Method of treating disorders related to protease-activated receptors-induced cell activation F2R, HPN, F2RL1 PDE5A 3372/4885KDM4E 4548/4885ALDH1A1 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.