SCHEMBL6381995

SCHEMBL6381995

Cc1c[nH]c(C)c1C(=O)NCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
ALDH1A1 P00352 4/20 0.53
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
KDM4E B2RXH2 3/20 0.53
HPGD P15428 2/20 0.53
LMNA P02545 2/20 0.53
CYP2C19 P33261 2/20 0.53
HSD17B10 Q99714 1/20 0.53
MAPT P10636 1/20 0.53
GAA P10253 1/20 0.52
NPC1 O15118 2/20 0.50
HTT P42858 1/20 0.50
PKM P14618 1/20 0.50
NOTUM Q6P988 1/20 0.50
POLB P06746 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
EGFR P00533 1/20 0.48
SRC P12931 1/20 0.48
CYP3A4 P08684 1/20 0.48

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
SCHEMBL22906170 0.77 NOTUM (0.55) TSHRALDH1A1KMT2AMEN1KDM4E
SCHEMBL31672516 0.77 TSHR (0.56) TSHRALDH1A1KMT2AMEN1KDM4E
SCHEMBL22534127 0.73 SMN1; SMN2 (0.58) TSHRALDH1A1KMT2AHPGDLMNA
SCHEMBL14454111 0.73 TSHR (0.62) TSHRALDH1A1KMT2AMEN1KDM4E
SCHEMBL6382766 0.72 ALDH1A1 (0.60) TSHRALDH1A1KMT2AMEN1KDM4E
SCHEMBL1032002 0.72 MAPK1 (0.77) ALDH1A1KMT2AMEN1KDM4EHPGD
SCHEMBL22754848 0.72 KDM4E (0.55) ALDH1A1KMT2AMEN1KDM4EHPGD
SCHEMBL2736551 0.71 MEN1 (0.60) TSHRALDH1A1KMT2AMEN1KDM4E
SCHEMBL29446127 0.71 NOTUM (0.61) LMNAMAPTNPC1HTTNOTUM
SCHEMBL7183285 0.70 KMT2A (0.71) TSHRKMT2AHPGDLMNACYP2C19

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050059824-A1 Method for catalyzing amidation reactions PHARMACIA & UPJOHN COMPANY 2005-03-17 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-20050059824-A1 Method for catalyzing amidation reactions NIT2, C5, CCNT2 TSHR 802/4885ALDH1A1 3748/4885KMT2A 1857/4885

“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.