SCHEMBL14903987

SCHEMBL14903987

CN1CC[n+]2c1c(-c1cc(-c3ccccc3)cc(-c3ccccc3)c1)cc1ccccc12

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.32
▸ MAOB P27338 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ HTR6 P50406 2/20 0.31
▸ PABPC1 P11940 1/20 0.31
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL14904334 0.74 FYN (0.34) HTTALDH1A1RAB9AL3MBTL1KMT2A
Anthracene SCHEMBL28443236 0.58 ALDH1A1 (0.56) HSD17B10CASP1ALDH1A1RAB9ATDP1
SCHEMBL29266808 0.58 ALDH1A1 (0.56) KDM4EHSD17B10HTTALDH1A1RAB9A
SCHEMBL481505 0.58 ALDH1A1 (0.75) HSD17B10ALDH1A1RAB9ATDP1KMT2A
SCHEMBL8452262 0.58 ALDH1A1 (0.75) HSD17B10ALDH1A1RAB9ATDP1KMT2A
SCHEMBL4332773 0.58 ALDH1A1 (0.75) HSD17B10ALDH1A1RAB9ATDP1KMT2A
Methylamine SCHEMBL28202149 0.57 ALDH1A1 (0.47) KDM4EHSD17B10HTTALDH1A1RAB9A
SCHEMBL1836101 0.57 HSD17B10 (0.41) KDM4EHSD17B10CASP1HTTRAB9A
SCHEMBL2008748 0.57 PARP1 (0.50) KDM4EALDH1A1RAB9AKMT2A
SCHEMBL30992115 0.57 ALDH1A1 (0.53) KDM4EHSD17B10HTTALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9102617-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-08-11 — — US disclosed
US-20130109713-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY 2013-05-02 — — 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-20130109713-A1 ANTIMICROBIAL AGENTS RPS4X, RPS4Y1, MRPL21 KDM4E 2209/4885HSD17B10 3692/4885CASP1 1026/4885

“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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