SCHEMBL18170859

SCHEMBL18170859

O=C(Nc1ccc(-c2ccccc2)c2c1C(=O)NCC2)c1ccco1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.55
ALDH1A1 P00352 6/20 0.47
MAPT P10636 2/20 0.47
HDAC1 Q13547 1/20 0.46
KMT2A Q03164 2/20 0.45
PARP10 Q53GL7 2/20 0.44
PARP11 Q9NR21 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 2/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
PKM P14618 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RAB9A P51151 2/20 0.43
GAA P10253 1/20 0.43
ALOX15 P16050 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL18170750 0.89 TSHR (0.57) TSHRALDH1A1MAPTHDAC1KMT2A
SCHEMBL18170862 0.84 KDR (0.56) TSHRKMT2APARP10PARP11MEN1
SCHEMBL18170527 0.80 KDR (0.49) ALDH1A1MAPTHDAC1KMT2APARP10
SCHEMBL18170638 0.77 KDR (0.56) ALDH1A1MAPTHDAC1KMT2APARP10
SCHEMBL18171025 0.72 KDR (0.69) TSHRHDAC1KMT2AMEN1CYP1A2
SCHEMBL18170502 0.72 ALDH1A1 (0.59) ALDH1A1MAPTKMT2AMEN1PKM
SCHEMBL19476106 0.72 TSHR (1.00) TSHRALDH1A1MAPTHDAC1KMT2A
SCHEMBL6422319 0.71 TSHR (0.62) TSHRALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL18170814 0.71 KDR (0.46) HDAC1KDRPDE4B
SCHEMBL18170580 0.70 KDR (0.58) KDR

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 6 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-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
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 TSHR 1528/4885ALDH1A1 4760/4885MAPT 1133/4885

“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.