SCHEMBL3243758

SCHEMBL3243758

NC(=O)C1(c2c[nH]c3ccccc23)CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.55
ALDH1A1 P00352 1/20 0.47
ATM Q13315 1/20 0.47
MAPT P10636 5/20 0.47
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
GPR84 Q9NQS5 1/20 0.42
POLB P06746 1/20 0.42
STAT3 P40763 1/20 0.41
KMT2A Q03164 1/20 0.41
PBRM1 Q86U86 1/20 0.41
CYP2D6 P10635 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KDM4E B2RXH2 1/20 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
SCHEMBL30390141 0.95 HDAC1 (0.53) HDAC1ALDH1A1ATMMAPTTP53
SCHEMBL3720163 0.92 ALDH1A1 (0.51) HDAC1ALDH1A1ATMMAPTTP53
SCHEMBL24812437 0.78 HDAC1 (0.50) HDAC1ALDH1A1ATMMAPTTP53
SCHEMBL30050333 0.78 HDAC1 (0.50) HDAC1ALDH1A1ATMMAPTTP53
SCHEMBL15823052 0.77 LMNA (0.45) KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL24814502 0.77 PBRM1 (0.51) HDAC1ALDH1A1ATMMAPTTP53
SCHEMBL7837946 0.76 CYP2D6 (0.44) MAPTMGAMGAASIMGAM2
SCHEMBL28595479 0.74 MAPT (0.52) HDAC1ATMMAPTTP53SMN1; SMN2
SCHEMBL25139734 0.73 MAPT (0.47) HDAC1ALDH1A1MAPTTP53SMN1; SMN2
SCHEMBL22864441 0.73 NR4A2 (0.51) HDAC1ALDH1A1MAPTTP53SMN1; SMN2

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
EP-2102204-B1 NEW AMINOPYRROLO[1,2- A]INDOLE ET AMINOPYRIDAZINO[1,6-A]INDOLE DERIVATIVES, METHOD FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SERVIER LAB (FR) 2010-05-05 EP disclosed
US-20100105666-A1 TRIAZABENZO (A)NAPHTHO(2,1,8-CDE) AZULENE COMPOUNDS. LES LABORATOIRES SERVIER (FR) 2010-04-29 US disclosed
EP-1931341-B1 1H-INDOLE-PYRIDINECARBOXAMIDE AND 1H-INDOLE-PIPERIDINECARBOXAMIDE DERIVATIVES AND THEIR USE AS TYROSINE HYDROXYLASE INDUCERS SERVIER LAB (FR) 2009-11-04 EP disclosed
US-20090258883-A1 1H-Indole-Pyridinecarboxamide and 1H-Indole-Piperidinecarboxamide Compounds LES LABORATOIRES SERVIER (FR) 2009-10-15 US disclosed
EP-2102204-A1 NEW AMINOPYRROLO[1,2- A]INDOLE ET AMINOPYRIDAZINO[1,6-A]INDOLE DERIVATIVES, METHOD FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Les Laboratoires Servier (FR) 2009-09-23 EP disclosed
EP-2102209-A2 NOVEL TRIAZABENZO[A]NAPHTHO[2,L,8-CDE]AZULENE DERIVATIVES, METHOD FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Les Laboratoires Servier (FR) 2009-09-23 EP disclosed
WO-2009106753-A1 NOVEL DERIVATIVES OF 1H-INDOL-1-YL UREA, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2009-09-03 WO disclosed
EP-2078716-A1 New derivatives of 1H-indol-1-yl-urea, method for preparing same and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2009-07-15 EP disclosed
US-20090176794-A1 1H-INDOL-1-YL-UREA COMPOUNDS LES LABORATOIRES SERVIER (FR) 2009-07-09 US disclosed
CN-101475560-A New 1H-indol-1-yl-urea compounds, a process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2009-07-08 CN disclosed
CN-101257905-A Novel 1h-indole-pyridinecarboxamide derivatives and 1h-indole-piperidinecarboxamide and their use as hydroxalase tyrosine inducers SERVIER LAB (FR) 2008-09-03 CN disclosed
WO-2008099081-A2 NOVEL TRIAZABENZO[Α]NAPHTHO[2,L,8-CDE]AZULENE DERIVATIVES, METHOD FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME LES LABORATOIRES SERVIER (FR) 2008-08-21 WO disclosed
WO-2008099082-A1 NEW AMINOPYRROLO[1,2-Α]INDOLE ET AMINOPYRIDAZINO[1,6-Α]INDOLE DERIVATIVES, METHOD FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME LES LABORATOIRES SERVIER (FR) 2008-08-21 WO disclosed
EP-1931341-A2 NOVEL 1H-INDOLE-PYRIDINECARBOXAMIDE DERIVATIVES AND 1H-INDOLE-PIPERIDINECARBOXAMIDE AND THEIR USE AS HYDROXALASE TYROSINE INDUCERS Les Laboratoires Servier (FR) 2008-06-18 EP disclosed
WO-2007006922-A2 NOVEL 1H-INDOLE-PYRIDINECARBOXAMIDE DERIVATIVES AND 1H-INDOLE-PIPERIDINECARBOXAMIDE AND THEIR USE AS HYDROXYLASE TYROSINE INDUCERS LES LABORATOIRES SERVIER (FR) 2007-01-18 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 (3 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-20100105666-A1 TRIAZABENZO (A)NAPHTHO(2,1,8-CDE) AZULENE COMPOUNDS. NR1I2, NR2E1, NR0B2 HDAC1 921/4885ALDH1A1 1020/4885ATM 3873/4885
US-20090176794-A1 1H-INDOL-1-YL-UREA COMPOUNDS TPH1, HTR1D, IDO1 HDAC1 1453/4885ALDH1A1 439/4885ATM 3589/4885
US-20090258883-A1 1H-Indole-Pyridinecarboxamide and 1H-Indole-Piperidinecarboxamide Compounds IDO1, AHR, IDO2 HDAC1 595/4885ALDH1A1 370/4885ATM 3509/4885

“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.