SCHEMBL19714470

SCHEMBL19714470

CC(C)(C)OC(=O)Cn1c(NCc2ccccc2)nc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ CYP1A2 P05177 3/20 0.53
▸ CYP2C19 P33261 3/20 0.53
▸ CYP3A4 P08684 2/20 0.53
▸ CYP2D6 P10635 2/20 0.53
▸ MAPT P10636 2/20 0.52
▸ DRD2 P14416 1/20 0.51
▸ TBXA2R P21731 1/20 0.51
▸ LMNA P02545 4/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ CYP2C9 P11712 2/20 0.50
▸ HTT P42858 2/20 0.50
▸ TSHR P16473 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ GAA P10253 1/20 0.47

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
SCHEMBL19713871 0.82 CYP1A2 (0.63) ALDH1A1KDM4ECYP1A2CYP2C19CYP3A4
SCHEMBL20715535 0.82 LMNA (0.57) ALDH1A1CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL17824285 0.82 DRD2 (0.52) ALDH1A1KDM4ECYP1A2CYP2C19CYP3A4
SCHEMBL17833385 0.82 LMNA (0.60) ALDH1A1CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL19714100 0.79 LMNA (0.73) ALDH1A1CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL30951936 0.79 ALDH1A1 (0.64) ALDH1A1KDM4ECYP2C19LMNASMN1; SMN2
SCHEMBL19714116 0.77 KDM4E (0.54) ALDH1A1KDM4EMAPTLMNACYP2C9
Hydrochloric Acid SCHEMBL5119311 0.77 MAPT (0.56) MAPTMEN1KMT2A
SCHEMBL18955316 0.77 KDM4E (0.62) ALDH1A1KDM4ELMNAHTTTSHR
SCHEMBL17824312 0.76 RAB9A (0.64) ALDH1A1CYP1A2CYP2C19CYP3A4CYP2D6

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 95/4885KDM4E 3457/4885CYP1A2 4708/4885

“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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