SCHEMBL19251522

SCHEMBL19251522

C/C=C\N(C)c1ccc(C(C)(C)C)cc1N

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.44
▸ MAPT P10636 4/20 0.44
▸ GAA P10253 3/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HPGD P15428 3/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ NPC1 O15118 3/20 0.32
▸ RAB9A P51151 3/20 0.32
▸ MAPK1 P28482 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ NPSR1 Q6W5P4 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
SCHEMBL19251258 0.71 MEN1 (0.32) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL21416997 0.70 ALDH1A1 (0.44) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL1264882 0.68 KCNH2 (0.45) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL256203 0.67 ALDH1A1 (0.64) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL29377581 0.67 ALDH1A1 (0.64) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL11400597 0.65 ALDH1A1 (0.61) ALDH1A1MAPTGAAKMT2AMEN1
Hydrochloric Acid SCHEMBL8878556 0.65 ALDH1A1 (0.61) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL31296371 0.65 ALDH1A1 (0.61) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL297275 0.64 ALDH1A1 (0.59) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL2288703 0.64 ALDH1A1 (0.59) ALDH1A1MAPTGAAKMT2AMEN1

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-10472342-B2 Compounds and compositions for inhibition of FASN FORMA THERAPEUTICS, INC. (US) 2019-11-12 — — US disclosed
US-9732083-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-15 — — 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-10472342-B2 Compounds and compositions for inhibition of FASN FASN, FABP1, SCD ALDH1A1 1393/4885MAPT 3053/4885GAA 717/4885

“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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