SCHEMBL4124524

SCHEMBL4124524

CC(=O)Nc1cccc(C2CC2)c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
CCNE2 O96020 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
ADRA2A P08913 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
SCN9A Q15858 1/20 0.41
POLB P06746 2/20 0.41
LMNA P02545 1/20 0.41
FFAR2 O15552 1/20 0.41
CREBBP Q92793 1/20 0.41
KDM4E B2RXH2 1/20 0.41
RIPK1 Q13546 1/20 0.41
MAOA P21397 1/20 0.41
TSHR P16473 1/20 0.40

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
SCHEMBL13045909 0.84 HSD17B10 (0.56) ALDH1A1HPGDCCNE2CCNE1CDK2
SCHEMBL14817806 0.80 ALDH1A1 (0.65) ALDH1A1HPGDHSD17B10NPC1RAB9A
SCHEMBL13326964 0.78 HSD17B10 (0.50) ALDH1A1HPGDCCNE2CCNE1CDK2
SCHEMBL7515266 0.77 HSD17B10 (0.49) ALDH1A1HPGDCCNE2CCNE1CDK2
SCHEMBL30702637 0.74 ALDH1A1 (0.70) ALDH1A1HPGDHSD17B10NPC1RAB9A
SCHEMBL2307143 0.74 ALDH1A1 (0.70) ALDH1A1HPGDHSD17B10NPC1RAB9A
SCHEMBL27561971 0.74 HTR2C (0.51) ALDH1A1HPGDHSD17B10POLBRIPK1
SCHEMBL30606199 0.74 HSD17B10 (0.47) ALDH1A1HPGDHSD17B10POLBKDM4E
SCHEMBL5515435 0.74 HTR2C (0.52) HTR2C
SCHEMBL17133909 0.74 GRM7 (0.46) ALDH1A1HPGDCREBBPKDM4EHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8227480-B2 Indazole derivative having spiro ring structure in side chain UBE INDUSTRIES, LTD. (JP) 2012-07-24 US disclosed
US-8227480-B2 Indazole derivative having spiro ring structure in side chain UBE INDUSTRIES, LTD. (JP) 2012-07-24 US disclosed
US-8227480-B2 Indazole derivative having spiro ring structure in side chain UBE INDUSTRIES, LTD. (JP) 2012-07-24 US disclosed
US-20090170887-A1 Novel indazole derivative having spiro ring structure in side chain SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-07-02 US disclosed
US-20090170887-A1 Novel indazole derivative having spiro ring structure in side chain SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-07-02 US disclosed
US-20090170887-A1 Novel indazole derivative having spiro ring structure in side chain SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-07-02 US disclosed
EP-2025676-A1 NOVEL INDAZOLE DERIVATIVE HAVING SPIRO RING STRUCTURE IN SIDE CHAIN Ube Industries, Ltd. (JP) 2009-02-18 EP disclosed
EP-2025676-A1 NOVEL INDAZOLE DERIVATIVE HAVING SPIRO RING STRUCTURE IN SIDE CHAIN Ube Industries, Ltd. (JP) 2009-02-18 EP 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-20090170887-A1 Novel indazole derivative having spiro ring structure in side chain CIT, ROCK1, ROCK2 ALDH1A1 3076/4885HPGD 1415/4885CCNE2 684/4885

“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.