SCHEMBL19713922

SCHEMBL19713922

COC[C@H](C)NC(=O)Cn1c(NCc2ccccc2)nc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.60
▸ HTT P42858 2/20 0.60
▸ LMNA P02545 5/20 0.52
▸ TSHR P16473 1/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ DRD2 P14416 1/20 0.49
▸ TBXA2R P21731 1/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ CYP1A2 P05177 2/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ CYP2D6 P10635 2/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ USP2 O75604 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ THRB P10828 1/20 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
SCHEMBL19713925 1.00 ALDH1A1 (0.60) ALDH1A1HTTLMNATSHRRAB9A
SCHEMBL19714563 1.00 ALDH1A1 (0.60) ALDH1A1HTTLMNATSHRRAB9A
SCHEMBL17824312 0.83 RAB9A (0.64) ALDH1A1HTTLMNATSHRRAB9A
SCHEMBL19714135 0.81 RAB9A (0.61) ALDH1A1HTTLMNATSHRRAB9A
SCHEMBL19714188 0.81 RAB9A (0.61) ALDH1A1HTTLMNATSHRRAB9A
SCHEMBL17824285 0.80 DRD2 (0.52) ALDH1A1HTTLMNATSHRRAB9A
SCHEMBL17833385 0.80 LMNA (0.60) ALDH1A1HTTLMNATSHRRAB9A
SCHEMBL19714100 0.80 LMNA (0.73) ALDH1A1HTTLMNATSHRRAB9A
SCHEMBL19714240 0.80 RAB9A (0.59) ALDH1A1HTTLMNATSHRRAB9A
SCHEMBL19713871 0.78 CYP1A2 (0.63) ALDH1A1HTTLMNATSHRRAB9A

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 ALDH1A1 95/4885HTT 3064/4885LMNA 301/4885

“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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