SCHEMBL5565435

SCHEMBL5565435

OCc1ccc(-c2n[nH]c3ccccc23)o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.56
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 4/20 0.49
IDO1 P14902 3/20 0.49
HPGD P15428 2/20 0.49
GAA P10253 2/20 0.49
ALPL P05186 1/20 0.49
TTK P33981 1/20 0.49
MAPK10 P53779 1/20 0.49
MAPK1 P28482 3/20 0.47
RAB9A P51151 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 2/20 0.47
NPC1 O15118 2/20 0.47
TP53 P04637 2/20 0.47
CYP3A4 P08684 2/20 0.47
GMNN O75496 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 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
SCHEMBL13618350 0.79 KDM4E (0.46) ALDH1A1KDM4EIDO1HPGDGAA
SCHEMBL5563959 0.78 CSF1R (0.50) PDE5AALDH1A1KDM4EIDO1HPGD
SCHEMBL432305 0.75 ALDH1A1 (0.49) PDE5AALDH1A1KDM4EHPGDMAPK1
SCHEMBL163795 0.75 HIF1A (0.44) PDE5AALDH1A1KDM4EHPGDMAPK1
SCHEMBL3240192 0.75 MAP2K4 (0.56) ALDH1A1KDM4EIDO1HPGDGAA
SCHEMBL22359391 0.74 NOTUM (0.53) ALDH1A1KDM4EIDO1HPGDGAA
SCHEMBL8332364 0.73 PDE5A (0.41) PDE5AALDH1A1KDM4EHPGDMAPK1
SCHEMBL14497193 0.73 KDM4E (0.49) ALDH1A1KDM4EIDO1HPGDGAA
Perlolyrin SCHEMBL3919519 0.72 PDE5A (1.00) PDE5AKDM4EIDO1
SCHEMBL30492905 0.72 PDE5A (0.70) PDE5AALDH1A1KDM4EHPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1842332-A Compounds, compositions and methods HIF BIO INC (US) 2006-10-04 CN claimed
EP-1646382-A2 COMPOUNDS, COMPOSITIONS AND METHODS HIF BIO INC. (US) 2006-04-19 EP claimed
US-20050187276-A1 Compounds, compositions and methods BIZBIOTECH CO., LTD. (KR) 2005-08-25 US claimed
WO-2005030121-A2 COMPOUNDS, COMPOSITIONS AND METHODS HIF BIO, INC. (US) 2005-04-07 WO claimed
WO-2018089330-A2 SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
WO-2017197555-A1 FUSED PYRAZINE DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE STIMULATORS MERCK SHARP & DOHME CORP. (US) 2017-11-23 WO disclosed
WO-2017107052-A1 SOLUBLE GUANYLATE CYCLASE STIMULATORS MERCK SHARP & DOHME CORP. (US) 2017-06-29 WO 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-7754751-B2 Preferential inhibition of release of pro-inflammatory cytokines YUNG SHIN PHARMACEUTICAL IND. CO., LTD. (TW) 2010-07-13 US disclosed
US-20070142449-A1 Angiogenesis inhibitors YUNG SHIN PHARMACEUTICAL IND. CO., LTD. (TW) 2007-06-21 US disclosed
US-20070142449-A1 Angiogenesis inhibitors YUNG SHIN PHARMACEUTICAL IND. CO., LTD. (TW) 2007-06-21 US disclosed
US-7226941-B2 Compound for treating angiogenesis HIF BIO, INC. (US) 2007-06-05 US disclosed
CN-1842332-A Compounds, compositions and methods HIF BIO INC (US) 2006-10-04 CN disclosed
EP-1646382-A2 COMPOUNDS, COMPOSITIONS AND METHODS HIF BIO INC. (US) 2006-04-19 EP disclosed
US-20050187276-A1 Compounds, compositions and methods BIZBIOTECH CO., LTD. (KR) 2005-08-25 US disclosed
WO-2005030121-A2 COMPOUNDS, COMPOSITIONS AND METHODS HIF BIO, INC. (US) 2005-04-07 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-20050187276-A1 Compounds, compositions and methods HIF1A, HIF1AN, EGLN3 PDE5A 1987/4885ALDH1A1 858/4885KDM4E 881/4885
US-20070142449-A1 Angiogenesis inhibitors MTNR1A, MC3R, MTNR1B PDE5A 2353/4885ALDH1A1 2436/4885KDM4E 2824/4885

“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.