SCHEMBL3328451

SCHEMBL3328451

Cc1cc2cc(C#N)ccn2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
CYP2A6 P11509 1/20 0.39
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
IDH1 O75874 2/20 0.33
BRD4 O60885 1/20 0.32
BRD2 P25440 1/20 0.32
BRD3 Q15059 1/20 0.32
CREBBP Q92793 1/20 0.32
EGLN2 Q96KS0 2/20 0.32
AR P10275 1/20 0.32
PDE10A Q9Y233 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
GRM5 P41594 1/20 0.31
ALDH1A3 P47895 1/20 0.31
MAOA P21397 1/20 0.30

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
SCHEMBL3594658 0.76 ALDH1A1 (0.45) ALDH1A1CYP2A6IDH1EGLN2AR
SCHEMBL9276544 0.71 ALOX15 (0.44) ALDH1A1PDE10A
SCHEMBL4804053 0.68 ACHE (0.41) ALDH1A1CYP2A6MEN1NPC1MAPT
SCHEMBL10053617 0.68 PDE10A (0.45) ALDH1A1NPC1RAB9ASMN1; SMN2PDE10A
SCHEMBL24423211 0.67 TBXAS1 (0.40)
SCHEMBL4636296 0.67 GRM5 (0.42) ALDH1A1MEN1NPC1MAPTRAB9A
SCHEMBL7169879 0.67 MEN1 (0.36) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL321553 0.66 ALOX15 (0.48) ALDH1A1MEN1NPC1MAPTRAB9A
SCHEMBL10123586 0.66 TSHR (0.35) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL1994209 0.65 ALDH1A1 (0.43) ALDH1A1MEN1NPC1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137300-A1 Indolizine Acetic Acid Derivatives as CRTH2 Antagonists ARGENTA ORAL THERAPEUTICS LIMITED (GB) 2010-06-03 US disclosed
CN-101678009-A Indolizine acetic acid derivatives as CRTH2 antagonists ARGENTA DISCOVERY LTD 2010-03-24 CN disclosed
EP-2136804-A1 INDOLIZINE ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS Argenta Oral Therapeutics Limited (GB) 2009-12-30 EP disclosed
WO-2009044134-A1 INDOLIZINE DERIVATIVES WITH CRTH2 RECEPTOR AFFINITY FOR THE TREATMENT OF INFLAMMATORY DISEASES ARGENTA DISCOVERY LIMITED (GB) 2009-04-09 WO disclosed
US-20080306109-A1 Indolizine Derivatives as Ligands of the Crth2 Receptor ARGENTA DISCOVERY LIMITED (GB) 2008-12-11 US disclosed
CN-101305001-A Indolizine derivatives as ligands of the CRTH2 receptor ARGENTA DISCOVERY LTD (GB) 2008-11-12 CN disclosed
WO-2008113965-A1 INDOLIZINE ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS ARGENTA DISCOVERY LIMITED (GB) 2008-09-25 WO disclosed
EP-1931663-A1 IMDOLIZINE DERIVATIVES AS LIGANDS OF THE CRTH2 RECEPTOR Argenta Discovery Limited (GB) 2008-06-18 EP disclosed
WO-2007031747-A1 IMDOLIZINE DERIVATIVES AS LIGANDS OF THE CRTH2 RECEPTOR ARGENTA DISCOVERY LIMITED (GB) 2007-03-22 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-20080306109-A1 Indolizine Derivatives as Ligands of the Crth2 Receptor HRH4, HRH2, HRH3 ALDH1A1 3463/4885CYP2A6 352/4885MEN1 3938/4885
US-20100137300-A1 Indolizine Acetic Acid Derivatives as CRTH2 Antagonists HRH1, HRH4, HRH2 ALDH1A1 744/4885CYP2A6 2841/4885MEN1 3184/4885

“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.