SCHEMBL19714271

SCHEMBL19714271

c1ccc(CNc2nc3ccccc3n2CCOCc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.59
▸ CYP3A4 P08684 2/20 0.59
▸ CYP2D6 P10635 2/20 0.59
▸ CYP2C19 P33261 2/20 0.59
▸ MAPT P10636 5/20 0.57
▸ ALDH1A1 P00352 3/20 0.57
▸ MAPK1 P28482 2/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ TP53 P04637 4/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ LMNA P02545 2/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ MCL1 Q07820 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.50

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
SCHEMBL17824307 0.86 SMN1; SMN2 (0.58) CYP1A2CYP3A4CYP2D6CYP2C19MAPT
SCHEMBL19714481 0.85 SMN1; SMN2 (0.60) CYP1A2CYP3A4CYP2D6CYP2C19MAPT
SCHEMBL27898226 0.83 CYP1A2 (0.68) CYP1A2CYP3A4CYP2D6CYP2C19MAPT
SCHEMBL1170660 0.79 ALDH1A1 (0.86) CYP1A2CYP3A4CYP2D6CYP2C19MAPT
SCHEMBL17833378 0.79 MAPT (0.65) CYP1A2CYP3A4CYP2D6CYP2C19MAPT
SCHEMBL27898285 0.78 ALDH1A1 (0.83) CYP1A2CYP3A4CYP2D6CYP2C19MAPT
SCHEMBL6030662 0.76 KDM4E (0.52) CYP1A2CYP3A4CYP2D6CYP2C19MAPT
SCHEMBL6029552 0.75 KMT2A (0.53) MAPTALDH1A1TP53SMN1; SMN2LMNA
SCHEMBL19713871 0.74 CYP1A2 (0.63) CYP1A2CYP3A4CYP2D6CYP2C19MAPT
SCHEMBL27915822 0.73 ALDH1A1 (0.76) CYP1A2CYP3A4CYP2D6CYP2C19MAPT

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 4708/4885CYP3A4 4779/4885CYP2D6 4681/4885

“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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