SCHEMBL30032117

SCHEMBL30032117

CN(C)C(=O)c1ccc(-c2nnc(Br)s2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 3/20 0.39
▸ MTOR P42345 3/20 0.39
▸ LIPC P11150 3/20 0.38
▸ LIPG Q9Y5X9 3/20 0.38
▸ MET P08581 3/20 0.37
▸ SNCA P37840 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ LRRK2 Q5S007 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ ERN1 O75460 1/20 0.36
▸ S1PR1 P21453 1/20 0.36

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
SCHEMBL30031653 0.85 MGAM (0.48) PIK3CAMTORMETKMT2AMEN1
SCHEMBL30032369 0.84 ALDH1A1 (0.46) MTORLIPCLIPGSNCANPC1
Hydrochloric Acid SCHEMBL30031147 0.76 S1PR1 (0.48) METLRRK2S1PR1
SCHEMBL646187 0.73 DGAT1 (0.59) KMT2ANPC1RAB9AALDH1A1
SCHEMBL30031212 0.72 NR1H2 (0.47) PIK3CAMET
SCHEMBL31227461 0.70 RARB (0.48) NPC1RAB9AS1PR1
SCHEMBL15594549 0.70 MET (0.44) PIK3CAMTORMETKMT2ANPC1
SCHEMBL31227469 0.69 GSK3B (0.39) ALDH1A1
SCHEMBL30032460 0.69 KDM4E (0.58) MTORKMT2AMEN1NPC1RAB9A
SCHEMBL642910 0.69 CES2 (0.61) KMT2ANPC1

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-20220363662-A1 COMPOUNDS AS LXR AGONISTS Integral Biosciences Privated Limited (IN) 2022-11-17 — — US disclosed
WO-2022224166-A1 COMPOUNDS AS LXR AGONISTS INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2022-10-27 — — WO 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-20220363662-A1 COMPOUNDS AS LXR AGONISTS NR1H2, NR1H3, NR1H4 PIK3CA 651/4885MTOR 2622/4885LIPC 56/4885

“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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