SCHEMBL18057402

SCHEMBL18057402

CC(C)(O)c1cc2ccc(NCC[N+](C)(C)C)nc2n2c1nc1ccccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.36
▸ KDM4E B2RXH2 6/20 0.36
▸ GAA P10253 5/20 0.36
▸ NPC1 O15118 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ BRD4 O60885 6/20 0.34
▸ HPGD P15428 5/20 0.34
▸ GLA P06280 3/20 0.34
▸ ATM Q13315 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ CASP1 P29466 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ HIF1A Q16665 1/20 0.32

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
SCHEMBL18057397 0.86 KDM4E (0.42) ALDH1A1KDM4EGAAGLAATM
SCHEMBL18057399 0.82 KDM4E (0.38) ALDH1A1KDM4EGAANPC1TP53
SCHEMBL18057405 0.81 ALDH1A1 (0.51) ALDH1A1KDM4EGAASMN1; SMN2HPGD
SCHEMBL18057403 0.81 ALDH1A1 (0.45) ALDH1A1KDM4EGAANPC1RAB9A
SCHEMBL18057401 0.80 POLR1A (0.38) ALDH1A1KDM4EGAAHPGDGLA
SCHEMBL18057406 0.74 ALDH1A1 (0.36) ALDH1A1KDM4EGAANPC1TP53
SCHEMBL23160995 0.72 KDM4E (0.41) ALDH1A1KDM4EGAAGLAATM
SCHEMBL20078424 0.70 MKNK1 (0.43) ALDH1A1KDM4EGAAGLAATM
SCHEMBL18057396 0.69 HTR3A (0.48) ALDH1A1KDM4EKMT2A
SCHEMBL18213593 0.69 ALDH1A1 (0.41) ALDH1A1KDM4EGAASMN1; SMN2HPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9758518-B2 Compositions, uses and methods for making them Pimera, Inc. (US) 2017-09-12 — — US disclosed
US-9512123-B2 Compositions, uses and methods for making them Pimera, Inc. (US) 2016-12-06 — — US disclosed
US-20160326176-A1 Novel Compositions, Uses and Methods for Making Them PIMERA, INC 2016-11-10 — — US disclosed
US-20160257678-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM UNITED STATES GOVERNMENT 2016-09-08 — — 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 (2 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-20160326176-A1 Novel Compositions, Uses and Methods for Making Them BAX, CASP3, BCL2 ALDH1A1 3544/4885KDM4E 2839/4885GAA 1840/4885
US-20160257678-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 ALDH1A1 3544/4885KDM4E 2839/4885GAA 1840/4885

“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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