SCHEMBL17637285

SCHEMBL17637285

CC(C)(C)n1c(=O)ccc2ccc(F)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 3/20 0.37
▸ HTR2A P28223 2/20 0.37
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ BRPF1 P55201 2/20 0.35
▸ CA12 O43570 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ KAT2B Q92831 1/20 0.35
▸ BRD9 Q9H8M2 1/20 0.35
▸ DAO P14920 3/20 0.34
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ FABP4 P15090 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32

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
SCHEMBL17637279 0.76 HDAC1 (0.45) HTR2CHTR2AHDAC1HDAC6PARK7
SCHEMBL847600 0.76 CA12 (0.57) BRPF1CA12BRD4CA9KAT2B
SCHEMBL3263915 0.76 BRPF1 (0.57) HTR2CHTR2AHDAC1HDAC6ATM
SCHEMBL21321498 0.75 HTR2C (0.35) HTR2CHTR2AHDAC1HDAC6ATM
SCHEMBL21202580 0.73 GRIN2B (0.37) BRD4CYP11B1CYP11B2KDM4EALDH1A1
SCHEMBL18544278 0.71 HTR2C (0.37) HTR2CHTR2AHDAC1HDAC6ATM
SCHEMBL14320197 0.71 BTK (0.46) HTR2CHTR2AHDAC1HDAC6CYP11B1
SCHEMBL13209352 0.70 HTR2C (0.46) HTR2CHTR2ACYP11B1CYP11B2FABP4
SCHEMBL28779598 0.69 HTR2C (0.36) HTR2CHTR2AHDAC1HDAC6ATM
SCHEMBL18544253 0.69 HTR2C (0.42) HTR2CHTR2AHDAC1HDAC6ATM

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-20160090383-A1 ANTIBACTERIAL PHTHALIDE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2016-03-31 — — 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-20160090383-A1 ANTIBACTERIAL PHTHALIDE DERIVATIVES MRPL21, MAPRE1, HDAC6 HTR2C 4731/4885HTR2A 3869/4885HDAC1 26/4885

“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.

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