SCHEMBL1991144

SCHEMBL1991144

Cc1c(-c2ccccc2)cn(C)c1C(=O)[C]=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.42
CREBBP Q92793 2/20 0.36
SCN9A Q15858 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
PTGS1 P23219 1/20 0.35
GRIA2 P42262 1/20 0.34
GRIA4 P48058 1/20 0.34
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
CECR2 Q9BXF3 1/20 0.33
MEN1 O00255 2/20 0.33
CYP1A2 P05177 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL1254367 0.83 BRD4 (0.47) BRD4CREBBPSCN9AKDM4EALDH1A1
SCHEMBL29750688 0.82 BRD4 (0.46) BRD4CREBBPSCN9AKDM4EALDH1A1
SCHEMBL15161901 0.78 BRD4 (0.42) BRD4CREBBPSCN9AKDM4EALDH1A1
SCHEMBL1992572 0.78 GRIA4 (0.40) BRD4KDM4EALDH1A1SMN1; SMN2GRIA2
SCHEMBL6263058 0.69 BCAT2 (0.59) ALDH1A1SMN1; SMN2MEN1KMT2AGAA
SCHEMBL28634946 0.65 BRD4 (0.45) BRD4CREBBPSCN9AKDM4EALDH1A1
SCHEMBL31193411 0.64 MEN1 (0.50) KDM4EALDH1A1SMN1; SMN2PDCD1CD274
SCHEMBL10463528 0.64 BRD4 (0.47) BRD4CREBBPKDM4EALDH1A1SMN1; SMN2
SCHEMBL1081579 0.64 GRIA4 (0.47) BRD4KDM4EALDH1A1SMN1; SMN2GRIA2
SCHEMBL20568161 0.63 LMNA (0.45) KDM4EALDH1A1SMN1; SMN2MEN1CYP1A2

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-9452168-B2 Pyrrole antifungal agents F2G LTD (GB) 2016-09-27 US disclosed
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-08-27 US disclosed
US-8993574-B2 Pyrrole antifungal agents F2G LTD (GB) 2015-03-31 US disclosed
US-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2011-06-23 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-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 BRD4 3630/4885CREBBP 4702/4885SCN9A 2594/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 BRD4 3630/4885CREBBP 4702/4885SCN9A 2594/4885

“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.