SCHEMBL5658114

SCHEMBL5658114

O=[N+]([O-])C(Sc1ccc(C(F)(F)F)cn1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.47
▸ ALDH1A1 P00352 5/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ POLB P06746 1/20 0.41
▸ MAPT P10636 3/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ ATM Q13315 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ACP3 P15309 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ KMT2A Q03164 1/20 0.36
▸ S100A4 P26447 1/20 0.36
▸ RECQL P46063 1/20 0.35
▸ DDB1 Q16531 1/20 0.35
▸ CRBN Q96SW2 1/20 0.35

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
SCHEMBL11188091 0.73 ATM (0.47) RAB9AALDH1A1KDM4EPOLBMAPT
SCHEMBL22928065 0.69 RAB9A (0.45) RAB9AALDH1A1KDM4EPOLBMAPT
SCHEMBL19912702 0.69 RAB9A (0.42) RAB9AALDH1A1KDM4EPOLBMAPT
SCHEMBL25325181 0.66 RAB9A (0.51) RAB9AALDH1A1KDM4ENPSR1HPGD
SCHEMBL3701092 0.66 GSR (0.44) ALDH1A1KDM4EMAPTNPSR1NPC1
SCHEMBL18780194 0.65 RAB9A (0.42) RAB9AALDH1A1KDM4EPOLBMAPT
SCHEMBL4032772 0.64 ALDH1A1 (0.67) RAB9AALDH1A1KDM4EMAPTNPC1
SCHEMBL27283390 0.64 RAB9A (1.00) RAB9AALDH1A1KDM4EPOLBMAPT
SCHEMBL28144216 0.64 MAPT (0.51) RAB9AALDH1A1KDM4EPOLBMAPT
SCHEMBL9937872 0.63 SLC22A12 (0.51) RAB9AALDH1A1KDM4EPOLBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7262185-B2 Benzazepine derivative, process for producing the same, and use TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2007-08-28 — — US disclosed
US-20040235822-A1 Benzazepine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-11-25 — — US disclosed
EP-1422228-A1 BENZAZEPINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-05-26 — — 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-20040235822-A1 Benzazepine derivative, process for producing the same, and use CYP1B1, CYP1A1, CYP2E1 RAB9A 2546/4885ALDH1A1 519/4885KDM4E 512/4885

“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.

Send feedback