SCHEMBL15625680

SCHEMBL15625680

C[n+]1cc(-c2ccc3ccccc3n2)cc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 13/20 0.47
▸ NPC1 O15118 12/20 0.47
▸ AR P10275 3/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ KDM4E B2RXH2 9/20 0.47
▸ SMN1; SMN2 Q16637 8/20 0.47
▸ ALDH1A1 P00352 7/20 0.47
▸ NFKB1 P19838 2/20 0.46
▸ NFKB2 Q00653 2/20 0.46
▸ RELA Q04206 2/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ POLB P06746 2/20 0.46
▸ MAPT P10636 5/20 0.45
▸ HSD17B10 Q99714 4/20 0.45
▸ TP53 P04637 3/20 0.45

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
SCHEMBL15625690 0.81 RAB9A (0.44) RAB9ANPC1ARCYP3A4CYP1A2
SCHEMBL15625693 0.79 RAB9A (0.42) RAB9ANPC1ARCYP3A4CYP1A2
SCHEMBL15625703 0.76 NPC1 (0.44) RAB9ANPC1ARCYP3A4CYP1A2
SCHEMBL15625692 0.74 NPC1 (0.49) RAB9ANPC1CYP1A2CYP2D6CYP2C19
SCHEMBL15625698 0.74 NPC1 (0.49) RAB9ANPC1CYP1A2CYP2D6CYP2C19
SCHEMBL34467584 0.72 NPC1 (0.63) RAB9ANPC1ARCYP3A4CYP1A2
SCHEMBL240431 0.72 NPC1 (0.63) RAB9ANPC1ARCYP3A4CYP1A2
SCHEMBL15625709 0.72 CNR1 (0.41) RAB9ANPC1ARCYP3A4CYP1A2
SCHEMBL12075034 0.71 TERT (0.43) RAB9AKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL12112870 0.71 RAB9A (0.80) RAB9ANPC1ARCYP3A4CYP1A2

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-20140088144-A1 INHIBITING MICROBIAL INFECTIONS THE UNIVERSITY OF KANSAS (US) 2014-03-27 — — 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-20140088144-A1 INHIBITING MICROBIAL INFECTIONS ARAF, VGF, LITAF RAB9A 1405/4885NPC1 4589/4885AR 1972/4885

“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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