SCHEMBL6804935

SCHEMBL6804935

N#Cc1ccc(Cc2ccccc2C(N)=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
SAE1 Q9UBE0 1/20 0.46
UBA2 Q9UBT2 1/20 0.46
MAPK8 P45983 1/20 0.46
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
PARP1 P09874 3/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
PARP2 Q9UGN5 2/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
IDO1 P14902 2/20 0.41
PLA2G10 O15496 1/20 0.41
PLA2G2A P14555 1/20 0.41
PARP15 Q460N3 1/20 0.41

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
SCHEMBL9018807 0.87 TSHR (0.50) TSHRSAE1UBA2ALDH1A1MEN1
SCHEMBL6164527 0.84 PARP1 (0.47) SAE1UBA2MAPK8ALDH1A1MEN1
SCHEMBL1004028 0.81 TSHR (0.58) TSHRALDH1A1MEN1MAPTKMT2A
SCHEMBL19439093 0.80 TSHR (0.53) TSHRALDH1A1MEN1MAPTKMT2A
SCHEMBL5723934 0.80 KEAP1 (0.56) TSHRALDH1A1MEN1MAPTKMT2A
SCHEMBL6161710 0.80 IKBKB (0.45) SAE1UBA2MAPK8PARP1PARP2
Hydrochloric Acid SCHEMBL15690391 0.80 TSHR (0.56) TSHRALDH1A1MEN1MAPTKMT2A
SCHEMBL5178408 0.80 KDM4E (0.41) TSHRMAPK8ALDH1A1MAPTPARP1
SCHEMBL3461077 0.79 TSHR (0.51) TSHRMAPK8ALDH1A1MEN1MAPT
SCHEMBL1500536 0.79 TSHR (0.51) TSHRMAPK8ALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040002521-A1 Cyclopropanecarboxylic acid amide compound and pharmaceutical use thereof AJINOMOTO CO. INC 2004-01-01 US claimed
US-20040002521-A1 Cyclopropanecarboxylic acid amide compound and pharmaceutical use thereof AJINOMOTO CO. INC 2004-01-01 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-20040002521-A1 Cyclopropanecarboxylic acid amide compound and pharmaceutical use thereof NFKBIA, IKBKB, CHUK TSHR 4806/4885SAE1 4051/4885UBA2 3414/4885

“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.