SCHEMBL5897019

SCHEMBL5897019

NCC1CCCC(CNC(=O)c2cc3cc(NC(=O)c4ccc5[nH]c(C(=O)NCC6CCCC(CN)C6)cc5c4)ccc3[nH]2)C1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC2 Q92769 2/20 0.44
▸ ROCK2 O75116 1/20 0.44
▸ PYGL P06737 9/20 0.42
▸ SYK P43405 1/20 0.42
▸ ADRB2 P07550 1/20 0.42
▸ NHERF1 O14745 1/20 0.42
▸ PLD2 O14939 1/20 0.41
▸ PLD1 Q13393 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MAOA P21397 1/20 0.41
▸ MAOB P27338 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
SCHEMBL5680395 0.84 ITGB3 (0.47) HDAC2ROCK2PYGLSYK
SCHEMBL5677265 0.76 ITGB3 (0.54) HDAC2PYGLNHERF1PLD2PLD1
SCHEMBL5896783 0.76 ITGB3 (0.58) HDAC2KDM4EHSD17B10
SCHEMBL5889622 0.76 ITGB3 (0.53) HDAC2ROCK2PYGLNHERF1PLD2
SCHEMBL5889728 0.75 HDAC2 (0.49) HDAC2ROCK2PYGLNHERF1PLD2
SCHEMBL5889562 0.74 HDAC2 (0.50) HDAC2ROCK2PYGLNHERF1KDM4E
SCHEMBL5889537 0.74 KDM4E (0.51) HDAC2NHERF1PLD2PLD1KDM4E
SCHEMBL5889814 0.73 HDAC2 (0.50) HDAC2ROCK2NHERF1PLD2PLD1
SCHEMBL5889830 0.73 KDM4E (0.57) HDAC2NHERF1PLD2PLD1KDM4E
SCHEMBL5889522 0.73 KDM4E (0.53) HDAC2ROCK2PYGLNHERF1KDM4E

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-7141680-B2 Aromatic compounds possessing antifungal or antibacterial activity GENELABS TECHNOLOGIES, INC. 2006-11-28 — — US disclosed
US-20040063645-A1 Novel aromatic compounds possessing antifungal or antibacterial activity SMITHKLINE BEECHAM CORPORATION 2004-04-01 — — 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-20040063645-A1 Novel aromatic compounds possessing antifungal or antibacterial activity ZC3HAV1, TYR, ZC3HAV1L HDAC2 750/4885ROCK2 4167/4885PYGL 3811/4885

“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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