SCHEMBL3957985

SCHEMBL3957985

C=CCOc1cc(OC)ccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.50
RAB9A P51151 4/20 0.48
KMT2A Q03164 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
ALDH1A1 P00352 9/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 2/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
MAPT P10636 4/20 0.42
BACE1 P56817 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
LMNA P02545 2/20 0.41

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
SCHEMBL31487539 0.86 KMT2A (0.52) RAB9AKMT2ASMN1; SMN2NPC1ALDH1A1
SCHEMBL426860 0.82 ALDH1A1 (0.59) KMT2ASMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL7070030 0.81 MAPT (0.53) RAB9AKMT2ASMN1; SMN2NPC1ALDH1A1
SCHEMBL5668088 0.81 GPR35 (0.45) RAB9AKMT2ASMN1; SMN2NPC1ALDH1A1
SCHEMBL30686627 0.80 ALDH1A1 (0.58) RAB9AKMT2ASMN1; SMN2NPC1ALDH1A1
SCHEMBL28338065 0.80 CYP3A4 (0.40) RAB9AKMT2ANPC1ALDH1A1KDM4E
SCHEMBL4142866 0.80 ALDH1A1 (0.58) RAB9AKMT2ASMN1; SMN2NPC1ALDH1A1
SCHEMBL22048165 0.79 MAPT (0.58) RAB9AKMT2ASMN1; SMN2NPC1ALDH1A1
SCHEMBL18181653 0.79 ALDH1A1 (0.47) RAB9AKMT2ANPC1ALDH1A1KDM4E
SCHEMBL3884042 0.79 ALDH1A1 (0.49) RAB9AKMT2ASMN1; SMN2NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1984900-B Indole derivatives having piperidine ring EISAI R&D MAN CO LTD 2010-11-10 CN disclosed
US-7538123-B2 Indole derivative having piperidine ring EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-05-26 US disclosed
US-7538123-B2 Indole derivative having piperidine ring EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-05-26 US disclosed
US-20070219179-A1 Indole Derivative Having Piperidine Ring EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-09-20 US disclosed
US-20070219179-A1 Indole Derivative Having Piperidine Ring EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-09-20 US disclosed
US-20070219179-A1 Indole Derivative Having Piperidine Ring EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-09-20 US disclosed
CN-1984900-A Indole derivatives having piperidine ring EISAI R&D MAN CO LTD (JP) 2007-06-20 CN disclosed
EP-1757599-A1 INDOLE DERIVATIVES HAVING PIPERIDINE RINGS Eisai R&D Management Co., Ltd. (JP) 2007-02-28 EP disclosed
EP-1757599-A1 INDOLE DERIVATIVES HAVING PIPERIDINE RINGS Eisai R&D Management Co., Ltd. (JP) 2007-02-28 EP disclosed
US-20050256103-A1 Indole derivative having piperidine ring EISAI CO., LTD. 2005-11-17 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-20070219179-A1 Indole Derivative Having Piperidine Ring HTR5A, HTR2C, HTR1A FLT3 4520/4885RAB9A 1863/4885KMT2A 1734/4885
US-20050256103-A1 Indole derivative having piperidine ring HTR5A, HTR2C, HTR1A FLT3 4147/4885RAB9A 1871/4885KMT2A 1823/4885

“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.