SCHEMBL1782451

SCHEMBL1782451

Oc1ccccc1-c1cncc(Cl)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 5/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
LMNA P02545 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CASP3 P42574 2/20 0.40
SENP8 Q96LD8 2/20 0.40
SENP7 Q9BQF6 2/20 0.40
SENP6 Q9GZR1 2/20 0.40

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
SCHEMBL3924359 0.78 TGFBR1 (0.46) IDO1KMT2ASMN1; SMN2MAPTMEN1
SCHEMBL5142203 0.78 IDO1 (0.44) IDO1KMT2ASMN1; SMN2MAPTMEN1
SCHEMBL27832834 0.77 KMT2A (0.46) IDO1KMT2ASMN1; SMN2MAPTMEN1
SCHEMBL27965988 0.76 KMT2A (0.45) IDO1KMT2ASMN1; SMN2MAPTMEN1
SCHEMBL27703288 0.75 BCAT2 (0.50) KMT2AMAPTHPGDHSD17B10RAB9A
SCHEMBL28352850 0.74 IDO1 (0.50) IDO1
SCHEMBL27814299 0.74 HSP90AA1 (0.55) SMN1; SMN2MAPTHPGDHSD17B10ALOX15
SCHEMBL319173 0.72 CDK2 (0.48) KMT2ASMN1; SMN2MAPTMEN1HPGD
SCHEMBL23093395 0.72 CDK5 (0.42) IDO1LMNACDK2ALDH1A1
SCHEMBL16739614 0.71 CDK2 (0.42) IDO1LMNACYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2197551-B1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME (US) 2016-12-28 EP disclosed
US-8455638-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2013-06-04 US disclosed
US-20110118282-A1 Soluble Guanylate Cyclase Activators MERCK SHARP & DOHME LLC 2011-05-19 US disclosed
CN-101939053-A Soluble guanylate cyclase activators MERCK SHARP & DOHME 2011-01-05 CN disclosed
EP-2197551-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS Merck Sharp & Dohme Corp. (US) 2010-06-23 EP disclosed
US-20090209556-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. 2009-08-20 US disclosed
WO-2009032249-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK & CO., INC. (US) 2009-03-12 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-20110118282-A1 Soluble Guanylate Cyclase Activators GUCY1B1, GUCY1A2, GUCY1A1 IDO1 4346/4885KMT2A 4012/4885SMN1; SMN2 1171/4885
US-20090209556-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1B1, GUCY1A2, GUCY1A1 IDO1 4346/4885KMT2A 4012/4885SMN1; SMN2 1171/4885

“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.