SCHEMBL4178737

SCHEMBL4178737

O=C(C=Cc1cncc(Br)c1)c1ccccn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.62
KDM4E B2RXH2 5/20 0.62
NPC1 O15118 4/20 0.62
RAB9A P51151 4/20 0.62
PKM P14618 3/20 0.62
LMNA P02545 2/20 0.62
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KRAS P01116 1/20 0.53
PLIN1 O60240 1/20 0.52
MAPK1 P28482 1/20 0.52
PLIN5 Q00G26 1/20 0.52
ABHD5 Q8WTS1 1/20 0.52
CYP1A1 P04798 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP1B1 Q16678 2/20 0.49

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
SCHEMBL4181070 0.84 MAPT (0.62) MAPTKDM4ENPC1RAB9APKM
SCHEMBL16996866 0.83 CYP1B1 (0.58) MAPTRAB9APKMLMNAKMT2A
SCHEMBL11973097 0.81 MAPT (0.77) MAPTKDM4ENPC1RAB9APKM
SCHEMBL11973091 0.81 MAPT (0.77) MAPTKDM4ENPC1RAB9APKM
SCHEMBL4189525 0.81 KDM4E (0.70) MAPTKDM4ENPC1RAB9APKM
SCHEMBL3659102 0.80 RAB9A (0.74) MAPTKDM4ENPC1RAB9APKM
SCHEMBL4174253 0.80 RAB9A (0.74) MAPTKDM4ENPC1RAB9APKM
SCHEMBL12257967 0.79 MAPT (0.90) MAPTKDM4ENPC1RAB9APKM
SCHEMBL4189324 0.79 CYP1A2 (0.47) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL9221198 0.78 NPC1 (0.81) MAPTKDM4ENPC1RAB9APKM

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
EP-2242742-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2015-12-02 EP disclosed
US-8343966-B2 Organic compounds NOVARTIS AG (CH) 2013-01-01 US disclosed
US-20090215776-A1 Organic compounds ADCOCK CLAIRE 2009-08-27 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 (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-20090215776-A1 Organic compounds REN, RXFP1, MYLK MAPT 2885/4885KDM4E 2074/4885NPC1 1909/4885

“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.