SCHEMBL1327331

SCHEMBL1327331

[c]1ncccc1-c1ccc2ccccc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.50
NPC1 O15118 10/20 0.50
CYP3A4 P08684 3/20 0.50
CYP1A2 P05177 3/20 0.50
AR P10275 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 9/20 0.44
KDM4E B2RXH2 8/20 0.44
ALOX15 P16050 2/20 0.44
NISCH Q9Y2I1 1/20 0.44
SMN1; SMN2 Q16637 5/20 0.43
HSD17B10 Q99714 4/20 0.43
PKM P14618 4/20 0.43
HPGD P15428 4/20 0.43
TP53 P04637 3/20 0.43
MAPT P10636 2/20 0.43

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
SCHEMBL467101 0.76 RAB9A (0.47) RAB9ANPC1CYP3A4CYP1A2AR
Hydrochloric Acid SCHEMBL10653147 0.75 RAB9A (0.65) RAB9ANPC1CYP3A4CYP1A2AR
Hydrochloric Acid SCHEMBL2415958 0.75 RAB9A (0.65) RAB9ANPC1CYP3A4CYP1A2AR
SCHEMBL170196 0.75 RAB9A (0.64) RAB9ANPC1CYP3A4CYP1A2AR
SCHEMBL29374931 0.75 RAB9A (0.64) RAB9ANPC1CYP3A4CYP1A2AR
SCHEMBL6951103 0.74 CYP1A2 (0.53) RAB9ANPC1CYP3A4CYP1A2AR
SCHEMBL17841789 0.73 RAB9A (0.57) RAB9ANPC1CYP3A4CYP1A2AR
SCHEMBL523809 0.73 RAB9A (0.44) RAB9ANPC1CYP3A4CYP1A2AR
SCHEMBL8102439 0.73 RAB9A (0.49) RAB9ANPC1CYP3A4CYP1A2AR
SCHEMBL14893149 0.73 NPC1 (0.43) RAB9ANPC1CYP3A4CYP1A2AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6756384-B2 TREATMENT OF DISEASES AND DISORDERS RELATED TO THE HISTAMINE H3 RECEPTOR. NOVO NORDISK A/S (DK) 2004-06-29 US claimed
US-8058305-B2 Pyrrolidine derivatives as prostaglandin modulators MERCK SERONO SA (CH) 2011-11-15 US disclosed
US-20090292000-A1 PYRROLIDINE DERIVATIVES AS PROSTAGLANDIN MODULATORS LABORATOIRES SERONO S.A. (CH) 2009-11-26 US disclosed
US-20040053974-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent SANKYO COMPANY, LIMITED (JP) 2004-03-18 US 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-20040053974-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 RAB9A 3117/4885NPC1 981/4885CYP3A4 4276/4885
US-20090292000-A1 PYRROLIDINE DERIVATIVES AS PROSTAGLANDIN MODULATORS PGF, PTGIS, PDE5A RAB9A 2339/4885NPC1 4515/4885CYP3A4 429/4885

“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.