SCHEMBL18170936

SCHEMBL18170936

O=C(Nc1ccc(C(=O)N2CCCC2)c2c1C(=O)NC2)c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CASP3 P42574 1/20 0.42
KMT2A Q03164 6/20 0.41
ALOX5 P09917 1/20 0.41
HPGD P15428 2/20 0.41
TYK2 P29597 5/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
JAK3 P52333 1/20 0.41
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 2/20 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
SCHEMBL18170468 0.85 EPHX2 (0.39) NPSR1KMT2ATYK2JAK2JAK1
SCHEMBL18170689 0.84 CASP3 (0.46) CASP3KMT2ARAB9AMEN1ALDH1A1
SCHEMBL18170575 0.82 CASP3 (0.45) CASP3KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL18170840 0.81 CYP2C19 (0.54) CASP3KMT2AHPGDNPC1RAB9A
SCHEMBL18170783 0.79 KCNMA1 (0.51) NPSR1TDP1CASP3KMT2ATP53
SCHEMBL18170550 0.78 CASP3 (0.47) NPSR1TDP1CASP3KMT2ANPC1
SCHEMBL18170869 0.77 CASP3 (0.46) NPSR1TDP1CASP3KMT2AHTT
SCHEMBL18170646 0.76 CASP3 (0.43) TDP1CASP3KMT2AMAPK1HTT
SCHEMBL18170461 0.75 MEN1 (0.52) TDP1CASP3KMT2ATYK2NPC1
SCHEMBL18170448 0.75 CASP3 (0.44) CASP3KMT2ANPC1RAB9ASMN1; 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
US-20160311772-A1 COMPOUNDS AS TNIK, IKKEPSILON AND TBK1 INHIBITORS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2016-10-27 US claimed
US-9856216-B2 Compounds as TNIK, IKKε and TBK1 inhibitors and pharmaceutical composition comprising same GREEN CROSS CORPORATION (KR) 2018-01-02 US disclosed
US-20160311772-A1 COMPOUNDS AS TNIK, IKKEPSILON AND TBK1 INHIBITORS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2016-10-27 US disclosed
US-20160311772-A1 COMPOUNDS AS TNIK, IKKEPSILON AND TBK1 INHIBITORS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2016-10-27 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-20160311772-A1 COMPOUNDS AS TNIK, IKKEPSILON AND TBK1 INHIBITORS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME TNIK, TNK1, NFKBIA NPSR1 3200/4885TDP1 1541/4885CASP3 2056/4885

“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.