SCHEMBL15832176

SCHEMBL15832176

C=C(CNC(=C)NCc1ccc(N)cc1)NCC1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.46
▸ PPID Q08752 3/20 0.39
▸ RAB9A P51151 4/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ F2 P00734 1/20 0.36
▸ ERCC1 P07992 1/20 0.36
▸ ERCC4 Q92889 1/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ NAMPT P43490 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ PPIB P23284 1/20 0.35

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
SCHEMBL19882160 0.86 HDAC6 (0.45) EPHX1PPIDRAB9ANPC1HDAC6
SCHEMBL15832149 0.79 EPHX1 (0.41) EPHX1PPIDRAB9ANPC1POLB
SCHEMBL3085761 0.75 HDAC6 (0.60) EPHX1RAB9ANPC1HDAC6POLB
SCHEMBL15832152 0.74 PPID (0.43) EPHX1PPIDPOLBSMN1; SMN2NAMPT
Hydrochloric Acid SCHEMBL3857669 0.73 HDAC6 (0.59) EPHX1RAB9ANPC1HDAC6POLB
SCHEMBL15832187 0.71 PPID (0.42) EPHX1PPIDRAB9ANPC1SMN1; SMN2
SCHEMBL15832193 0.71 ALDH1A1 (0.48) PPIDSMN1; SMN2
SCHEMBL15832158 0.69 ALDH1A1 (0.49) POLBSMN1; SMN2LMNA
SCHEMBL13573606 0.69 HDAC6 (0.49) EPHX1PPIDHDAC6HDAC3
SCHEMBL15832188 0.68 ADRB2 (0.35) PPIDNAMPTLMNA

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-20140179687-A1 New Inhibitors of Cyclophilins and Uses Thereof INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2014-06-26 — — 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-20140179687-A1 New Inhibitors of Cyclophilins and Uses Thereof FKBP3, FKBP4, FKBP5 EPHX1 645/4885PPID 73/4885RAB9A 4312/4885

“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.

Send feedback