SCHEMBL18656802

SCHEMBL18656802

CSc1cccc(CCC(N)=O)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
MAPT P10636 2/20 0.44
RECQL P46063 1/20 0.41
CAPN1 P07384 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTR2C P28335 1/20 0.40
HTR6 P50406 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
FFAR1 O14842 1/20 0.39

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
SCHEMBL11200803 0.85 ALDH1A1 (0.56) MEN1KMT2AMAPTRECQLTP53
SCHEMBL7341923 0.85 KEAP1 (0.55) MEN1KMT2AMAPTTP53POLB
SCHEMBL18656066 0.83 CAPN1 (0.41) MAPTCAPN1HTR2CHTR6FFAR1
SCHEMBL3941893 0.81 SIRT2 (0.49) MEN1KMT2AMAPTRECQLSMN1; SMN2
SCHEMBL5677026 0.79 ALDH1A1 (0.49) MEN1KMT2ACAPN1SMN1; SMN2ALDH1A1
SCHEMBL46647 0.79 SMN1; SMN2 (0.58) MEN1KMT2AMAPTTP53POLB
SCHEMBL43642 0.77 PLA2G10 (0.46) MAPTCAPN1ALDH1A1SIGMAR1FFAR1
SCHEMBL22047275 0.77 ALDH1A1 (0.60) MAPTCAPN1TP53SMN1; SMN2ALDH1A1
SCHEMBL3053513 0.77 TAAR1 (0.58) MEN1KMT2AALDH1A1
SCHEMBL8021888 0.77 MEN1 (0.43) MEN1KMT2AMAPTRECQLSMN1; SMN2

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-3668841-A1 SUBSTITUTED BENZIMIDAZOLES AS POTASSIUM CHANNEL INHIBITORS Acesion Pharma ApS (DK) 2020-06-24 EP disclosed
WO-2019034603-A1 SUBSTITUTED BENZIMIDAZOLES AS POTASSIUM CHANNEL INHIBITORS ACESION PHARMA APS (DK) 2019-02-21 WO disclosed
US-9969710-B2 Heteroaryl compounds as IRAK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2018-05-15 US disclosed
US-20170081307-A1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-03-23 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 (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-20170081307-A1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 MEN1 3661/4885KMT2A 855/4885MAPT 2476/4885

“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.