SCHEMBL949247

SCHEMBL949247

Cc1ncn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c1C=O

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
HTT P42858 1/20 0.33
ALDH1A1 P00352 4/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
HPGD P15428 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP2A6 P11509 1/20 0.32
ERN1 O75460 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL10439558 0.81 CYP1A2 (0.44) CYP11B1CYP11B2SMN1; SMN2HTTALDH1A1
SCHEMBL7782726 0.81 HCAR2 (0.38) SMN1; SMN2ALDH1A1HPGDNPC1RAB9A
SCHEMBL7438606 0.78 MLYCD (0.33) CYP11B1CYP11B2
SCHEMBL312495 0.77 KDM4C (0.39) CYP11B1CYP11B2HTTALDH1A1CYP2A6
SCHEMBL8499957 0.77 L3MBTL1 (0.40) SMN1; SMN2HTTALDH1A1LMNA
SCHEMBL7412278 0.77 L3MBTL1 (0.40) SMN1; SMN2HTTALDH1A1LMNA
SCHEMBL5793125 0.75 KDM4E (0.34) SMN1; SMN2ALDH1A1LMNA
SCHEMBL643809 0.75 CYP11B1 (0.37) CYP11B1CYP11B2SMN1; SMN2HTTALDH1A1
SCHEMBL10439557 0.75 CYP11B1 (0.37) CYP11B1CYP11B2SMN1; SMN2HTTALDH1A1
SCHEMBL1006291 0.71 TAAR1 (0.35) CYP11B1CYP11B2SMN1; SMN2ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
US-20070004736-A1 Imidazole derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-04 US disclosed
EP-1564213-A1 IMIDAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2005-08-17 EP disclosed
EP-1135377-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2001-09-26 EP disclosed
WO-2000034254-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2000-06-15 WO disclosed
EP-0397365-B1 Arylthiazolylimidazoles as 5HT3 Antagonists PFIZER (US) 1994-03-02 EP disclosed
EP-0397365-A1 Arylthiazolylimidazoles as 5HT3 Antagonists PFIZER INC. (US) 1990-11-14 EP disclosed
US-4914207-A ANTIEMETICS PFIZER INC. (US) 1990-04-03 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-20070004736-A1 Imidazole derivative, process for producing the same, and use HRH4, F2, HRH2 CYP11B1 34/4885CYP11B2 32/4885SMN1; SMN2 3368/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 CYP11B1 25/4885CYP11B2 24/4885SMN1; SMN2 3635/4885

“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.