SCHEMBL10078799

SCHEMBL10078799

COC(Cc1ccc(C(=O)CN)cc1[N+](=O)[O-])OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.47
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
HCAR3 P49019 2/20 0.39
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 1/20 0.38
AGTR1 P30556 1/20 0.38
VCAM1 P19320 1/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 2/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL544105 0.84 VCAM1 (0.54) PDK1MEN1KMT2AALDH1A1VCAM1
SCHEMBL544786 0.82 PDK1 (0.47) PDK1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL14308011 0.82 HCAR3 (0.47) PDK1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL10079433 0.80 ALDH1A1 (0.37) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL10079161 0.75 TSHR (0.66) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4687689 0.75 CASP6 (0.54) HCAR3LMNATSHRMAPT
SCHEMBL6112769 0.71 PARP1 (0.55) PDK1SMN1; SMN2KMT2AALDH1A1LMNA
SCHEMBL13999404 0.71 ALDH1A1 (0.53) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL16959624 0.70 PDK1 (0.65) PDK1SMN1; SMN2KMT2AHCAR3ALDH1A1
SCHEMBL28594230 0.69 ATM (0.51) MEN1KMT2AALDH1A1KDM4EAGTR1

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-8110688-B2 Method for producing indole derivative having piperidine ring EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-02-07 US disclosed
EP-1880995-B1 METHOD FOR PRODUCING INDOLE DERIVATIVE HAVING PIPERIDINE RING EISAI R&D MAN CO LTD (JP) 2011-12-21 EP disclosed
US-20100197926-A1 METHOD FOR PRODUCING INDOLE DERIVATIVE HAVING PIPERIDINE RING EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-05 US disclosed
EP-1880995-A1 METHOD FOR PRODUCING INDOLE DERIVATIVE HAVING PIPERIDINE RING Eisai R&D Management Co., Ltd. (JP) 2008-01-23 EP 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 (1 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-20100197926-A1 METHOD FOR PRODUCING INDOLE DERIVATIVE HAVING PIPERIDINE RING IDO2, IDO1, TPH2 PDK1 504/4885NPC1 4548/4885RAB9A 2678/4885

“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.