SCHEMBL854115

SCHEMBL854115

C=C[CH]c1nc2ccccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.56
NPC1 O15118 9/20 0.56
RAB9A P51151 9/20 0.56
KDM4E B2RXH2 7/20 0.56
MEN1 O00255 7/20 0.56
KMT2A Q03164 7/20 0.56
SMN1; SMN2 Q16637 6/20 0.56
HPGD P15428 5/20 0.56
PKM P14618 4/20 0.56
HSP90AA1 P07900 1/20 0.56
MAPT P10636 5/20 0.50
LMNA P02545 4/20 0.50
GAA P10253 4/20 0.50
HTT P42858 3/20 0.50
NPSR1 Q6W5P4 3/20 0.50
TP53 P04637 2/20 0.50
GLA P06280 2/20 0.50
NFKB1 P19838 2/20 0.50
NFKB2 Q00653 2/20 0.50
RELA Q04206 2/20 0.50

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
SCHEMBL1568280 0.84 ALDH1A1 (0.59) ALDH1A1NPC1RAB9AKDM4EMEN1
SCHEMBL29539476 0.79 ALDH1A1 (0.81) ALDH1A1NPC1RAB9AKDM4EMEN1
SCHEMBL1086983 0.79 ALDH1A1 (0.81) ALDH1A1NPC1RAB9AKDM4EMEN1
SCHEMBL19119423 0.79 ALDH1A1 (0.63) ALDH1A1NPC1RAB9AKDM4EMEN1
SCHEMBL1086985 0.79 ALDH1A1 (0.81) ALDH1A1NPC1RAB9AKDM4EMEN1
SCHEMBL7528716 0.78 ALDH1A1 (0.53) ALDH1A1NPC1RAB9AKDM4EMEN1
SCHEMBL7398588 0.76 ALDH1A1 (0.59) ALDH1A1NPC1RAB9AKDM4EMEN1
SCHEMBL718647 0.76 ALDH1A1 (0.59) ALDH1A1NPC1RAB9AKDM4EMEN1
SCHEMBL8661689 0.76 ALDH1A1 (0.59) ALDH1A1NPC1RAB9AKDM4EMEN1
SCHEMBL3081168 0.76 ALDH1A1 (0.59) ALDH1A1NPC1RAB9AKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5916891-A CYTOKINE MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1999-06-29 US claimed
US-5484934-A FUNGICIDE, WOOD PRESERVATIVE NIHON NOHYAKU CO., LTD. (JP) 1996-01-16 US claimed
US-8551999-B2 Heterocyclic compound and pharmaceutical composition thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US disclosed
EP-2207773-B1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMA CO LTD (JP) 2012-07-11 EP disclosed
US-8143304-B2 (3-amino-1,2,3,4-tetrahydro-9 H-carbazol-9-yl)-acetic acid derivatives ACTELION PHARMACEUTICAL LTD. (CH) 2012-03-27 US disclosed
EP-2051962-B1 (3-AMINO-1,2,3,4-TETRAHYDRO-9H-CARBAZOL-9-YL)-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2011-10-26 EP disclosed
EP-2316824-A1 (3-Amino-1,2,3,4-tetrahydro-9H-carbazoI-9-yl)-acetic acid derivates Actelion Pharmaceuticals Ltd. (CH) 2011-05-04 EP disclosed
US-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-10-14 US disclosed
US-20100190830-A1 (3-Amino-1,2,3,4-Tetrahydro-9H-Carbazol-9-yl)-Acetic Acid Derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2010-07-29 US disclosed
EP-2207773-A2 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF Otsuka Pharmaceutical Co., Ltd. (JP) 2010-07-21 EP disclosed
CN-101489555-A Nf-kappa OTSUKA PHARMA CO LTD (JP) 2009-07-22 CN disclosed
WO-2009057811-A2 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-05-07 WO disclosed
EP-2051962-A1 (3-AMINO-1,2,3,4-TETRAHYDRO-9H-CARBAZOL-9-YL)-ACETIC ACID DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2009-04-29 EP disclosed
WO-2008017989-A1 (3-AMINO-1,2,3,4-TETRAHYDRO-9H-CARBAZOL-9-YL)-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-02-14 WO disclosed
CN-1454086-A High affinity small molecule C5A receptor modulators NEUROGEN CORP (US) 2003-11-05 CN 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-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF COL1A1, COL2A1, COL14A1 ALDH1A1 741/4885NPC1 2460/4885RAB9A 2502/4885
US-20100190830-A1 (3-Amino-1,2,3,4-Tetrahydro-9H-Carbazol-9-yl)-Acetic Acid Derivatives PTGDR, PTGER1, PTGIR ALDH1A1 389/4885NPC1 2931/4885RAB9A 910/4885

“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.