SCHEMBL19924926

SCHEMBL19924926

O=[N+]([O-])c1cn(Cc2ccccc2)c(Br)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.51
MAPT P10636 4/20 0.48
POLB P06746 2/20 0.45
ALDH1A1 P00352 5/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
CYP2C9 P11712 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45
HTT P42858 2/20 0.45
CYP2D6 P10635 2/20 0.45
HSP90AA1 P07900 1/20 0.45
CYP3A4 P08684 1/20 0.45
ATM Q13315 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HPGD P15428 1/20 0.42
PKM P14618 1/20 0.41
LMNA P02545 1/20 0.40
MAPK14 Q16539 1/20 0.40

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
SCHEMBL19924907 0.75 BRD4 (0.49) ALDH1A1CYP19A1
SCHEMBL29055771 0.74 MEN1 (0.42) ALDH1A1KMT2AMEN1SMN1; SMN2HTT
SCHEMBL1229308 0.73 RAB9A (0.49) MAPTPOLBKMT2AMEN1ATM
SCHEMBL1522919 0.73 MAPT (0.55) MAPTPOLBALDH1A1KMT2AMEN1
SCHEMBL28574994 0.72 ALDH1A1 (0.49) SOS1POLBALDH1A1KMT2APKM
SCHEMBL29118209 0.72 ALDH1A1 (0.45) SOS1MAPTPOLBALDH1A1KMT2A
SCHEMBL2979131 0.72 TAAR1 (0.59) MAPTALDH1A1CYP2C9CYP2C19HTT
SCHEMBL31437774 0.72 ALDH1A1 (0.49) SOS1MAPTPOLBALDH1A1KMT2A
SCHEMBL58070 0.72 ALDH1A1 (0.49) SOS1MAPTPOLBALDH1A1KMT2A
SCHEMBL28717264 0.71 BRD4 (0.49) MAPTKMT2AMEN1SMN1; SMN2CYP19A1

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
EP-3507281-A1 IMIDAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF AUTOIMMUNE OR INFLAMMATORY DISEASES OR CANCERS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2019-07-10 EP disclosed
US-20190202799-A1 IMIDAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF AUTOIMMUNE OR INFLAMMATORY DISEASES OR CANCERS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2019-07-04 US disclosed
US-20190202799-A1 IMIDAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF AUTOIMMUNE OR INFLAMMATORY DISEASES OR CANCERS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2019-07-04 US disclosed
WO-2018041964-A1 IMIDAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF AUTOIMMUNE OR INFLAMMATORY DISEASES OR CANCERS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2018-03-08 WO 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-20190202799-A1 IMIDAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF AUTOIMMUNE OR INFLAMMATORY DISEASES OR CANCERS BRD4, BRPF3, BRD3 SOS1 4330/4885MAPT 3599/4885POLB 1744/4885

“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.