SCHEMBL18800161

SCHEMBL18800161

NC1=C(c2c(N)ccc3ccccc23)c2ccccc2CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 3/20 0.38
▸ ACHE P22303 2/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ DNMT1 P26358 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ KEAP1 Q14145 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ SETD7 Q8WTS6 1/20 0.35
▸ TYMS P04818 1/20 0.35
▸ CES1 P23141 1/20 0.34
▸ HPRT1 P00492 1/20 0.34

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
SCHEMBL16114881 0.73 DNMT1 (0.44) BCHEACHEALDH1A1LMNAMAPT
SCHEMBL455943 0.72 ALDH1A1 (0.56) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL29418178 0.72 ALDH1A1 (0.56) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL29418125 0.71 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL4915508 0.71 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL31633516 0.70 ALDH1A1 (0.54) ALDH1A1HPGDMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL31439257 0.70 ALDH1A1 (0.54) ALDH1A1HPGDMAPTDNMT1CYP3A4
SCHEMBL31633515 0.70 ALDH1A1 (0.54) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL25019358 0.70 NSD2 (0.43) ALDH1A1KDM4ELMNAMAPTMEN1
SCHEMBL30791444 0.70 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDMAPTMEN1

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-20210238200-A1 CHIRAL N-SUBSTITUTED ALLYLIC AMINE COMPOUNDS UNIVERSITY OF LOUISIANA AT LAFAYETTE 2021-08-05 — — US disclosed
US-11021494-B2 Chiral N-substituted allylic amine compounds UNIVERSITY OF LOUISIANA AT LAFAYETTE (US) 2021-06-01 — — US disclosed
US-20190106440-A1 COMPOSITION OF MATTER UNIVERSITY OF LOUISIANA AT LAFAYETTE 2019-04-11 — — US disclosed
US-9637503-B2 Composition of matter UNIVERSITY OF LOUISIANA AT LAFAYETTE (US) 2017-05-02 — — 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 (3 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-20210238200-A1 CHIRAL N-SUBSTITUTED ALLYLIC AMINE COMPOUNDS HNMT, NNMT, PNMT BCHE 65/4885ACHE 179/4885ALDH1A1 501/4885
US-11021494-B2 Chiral N-substituted allylic amine compounds HNMT, NNMT, PNMT BCHE 76/4885ACHE 192/4885ALDH1A1 524/4885
US-20190106440-A1 COMPOSITION OF MATTER HNMT, TPMT, NNMT BCHE 73/4885ACHE 86/4885ALDH1A1 848/4885

“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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