SCHEMBL19713871

SCHEMBL19713871

O=C(O)Cn1c(NCc2ccccc2)nc2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.63
▸ CYP2C19 P33261 2/20 0.63
▸ CYP3A4 P08684 1/20 0.63
▸ CYP2D6 P10635 1/20 0.63
▸ ALDH1A1 P00352 1/20 0.61
▸ MAPT P10636 1/20 0.61
▸ MEN1 O00255 1/20 0.58
▸ PKM P14618 1/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ PTGDR2 Q9Y5Y4 3/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ APEX1 P27695 1/20 0.56
▸ LMNA P02545 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ CYP2C9 P11712 1/20 0.54
▸ TRPC4 Q9UBN4 1/20 0.53

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
SCHEMBL19714100 0.88 LMNA (0.73) CYP1A2CYP2C19CYP3A4CYP2D6ALDH1A1
SCHEMBL17824292 0.87 MEN1 (0.64) CYP1A2CYP2C19CYP3A4CYP2D6ALDH1A1
SCHEMBL19713883 0.83 MEN1 (0.79) CYP1A2CYP2C19CYP3A4CYP2D6ALDH1A1
SCHEMBL20715535 0.83 LMNA (0.57) CYP1A2CYP2C19CYP3A4CYP2D6ALDH1A1
SCHEMBL19714470 0.82 ALDH1A1 (0.56) CYP1A2CYP2C19CYP3A4CYP2D6ALDH1A1
SCHEMBL1170660 0.82 ALDH1A1 (0.86) CYP1A2CYP2C19CYP3A4CYP2D6ALDH1A1
SCHEMBL19714456 0.81 MEN1 (0.54) CYP1A2CYP2C19CYP3A4CYP2D6ALDH1A1
SCHEMBL17824280 0.81 LMNA (0.61) CYP1A2CYP2C19CYP3A4CYP2D6ALDH1A1
SCHEMBL19714641 0.81 ALDH1A1 (0.63) CYP1A2CYP2C19CYP3A4CYP2D6ALDH1A1
SCHEMBL17833386 0.81 LMNA (0.61) CYP1A2CYP2C19CYP3A4CYP2D6ALDH1A1

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-20170362184-A1 PRO-SURVIVAL COMPOUNDS HERIOT-WATT UNIVERSITY (GB) 2017-12-21 — — 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-20170362184-A1 PRO-SURVIVAL COMPOUNDS MCL1, MKI67, MORF4L1 CYP1A2 4708/4885CYP2C19 4860/4885CYP3A4 4779/4885

“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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