SCHEMBL5730338

SCHEMBL5730338

CSc1c(Cl)n(CC#N)c2ccc(Cl)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.47
PTGDR2 Q9Y5Y4 7/20 0.41
PTGER4 P35408 1/20 0.40
AKR1B1 P15121 3/20 0.36
CYP3A4 P08684 3/20 0.35
CYP2C9 P11712 3/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 4/20 0.35
HSD17B10 Q99714 2/20 0.35
MEN1 O00255 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
ALOX12 P18054 1/20 0.35
PPARG P37231 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPK1 P28482 2/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL5730185 0.75 RAB9A (0.45) RAB9APTGDR2PTGER4AKR1B1CYP3A4
SCHEMBL5729697 0.71 PTGDR2 (0.43) RAB9APTGDR2HSD17B10MEN1PPARG
SCHEMBL11713809 0.69 RAB9A (0.51) RAB9APTGDR2AKR1B1
SCHEMBL9436894 0.69 ALDH1A1 (0.56) RAB9ACYP3A4CYP2C9CYP2C19MAPT
SCHEMBL11713232 0.68 DPP4 (0.45) RAB9APTGDR2PTGER4CYP3A4CYP2C9
SCHEMBL16147498 0.67 RAB9A (0.72) RAB9APTGER4MAPTHSD17B10MEN1
SCHEMBL1921261 0.67 PTGER4 (0.72) PTGER4CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL1612663 0.67 MAPT (0.56) RAB9ACYP3A4CYP2C9CYP2C19MAPT
SCHEMBL11718704 0.67 DPP4 (0.48) RAB9APTGDR2CYP3A4CYP2C9CYP2C19
SCHEMBL5730031 0.66 KDM4E (0.48) RAB9ACYP2C19MAPTMEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501826-B1 SUBSTITUTED INDOLES AS ALPHA-1 AGONISTS HOFFMANN LA ROCHE (CH) 2006-09-27 EP disclosed
US-6852726-B2 Substituted indoles as alpha-1 agonists SYNTEX LLC (US) 2005-02-08 US disclosed
EP-1501826-A2 SUBSTITUTED INDOLES AS ALPHA-1 AGONISTS F. Hoffman-la Roche AG (CH) 2005-02-02 EP disclosed
US-20030220319-A1 Substituted indoles as alpha-1 agonists SYNTEX (U.S.A.) LLC 2003-11-27 US disclosed
WO-2003064387-A2 SUBSTITUTED INDOLES AS ALPHA-1 AGONISTS F. HOFFMAN-LA ROCHE AG (CH) 2003-08-07 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 (1 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-20030220319-A1 Substituted indoles as alpha-1 agonists ADRA1A, ADRB1, ADRA1B RAB9A 2070/4885PTGDR2 717/4885PTGER4 674/4885

“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.