SCHEMBL422450

SCHEMBL422450

CC(C)(O)CNc1ccc(Br)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.44
LMNA P02545 3/20 0.42
NPC1 O15118 5/20 0.42
ALDH1A1 P00352 5/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
ALOX12 P18054 3/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
MAPT P10636 3/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
FPR2 P25090 2/20 0.40
MAP2K1 Q02750 2/20 0.40
MAP2K2 P36507 1/20 0.40
GRK2 P25098 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL30891579 0.83 ALDH1A1 (0.47) L3MBTL1LMNANPC1ALDH1A1RAB9A
SCHEMBL22544825 0.83 ALDH1A1 (0.47) L3MBTL1LMNANPC1ALDH1A1RAB9A
SCHEMBL27004804 0.83 KDM4E (0.44) LMNAGAAMAP2K1MAP2K2MEN1
SCHEMBL21535103 0.82 LMNA (0.41) L3MBTL1LMNANPC1ALDH1A1RAB9A
SCHEMBL22544828 0.82 MAP2K1 (0.46) L3MBTL1LMNANPC1ALDH1A1RAB9A
SCHEMBL30891575 0.82 MAP2K1 (0.46) L3MBTL1LMNANPC1ALDH1A1RAB9A
SCHEMBL21310782 0.81 AAK1 (0.40) ALDH1A1HPGDMAPTGAA
SCHEMBL27169591 0.81 LMNA (0.39) L3MBTL1LMNANPC1ALDH1A1RAB9A
SCHEMBL31115244 0.81 ALDH1A1 (0.46) L3MBTL1LMNANPC1ALDH1A1RAB9A
SCHEMBL22544650 0.81 ALDH1A1 (0.46) L3MBTL1LMNANPC1ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4306520-A1 THIOPHENE COMPOUND AND APPLICATION THEREOF Medshine Discovery Inc. (CN) 2024-01-17 EP disclosed
US-20120022057-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2012-01-26 US disclosed
US-20120022057-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2012-01-26 US disclosed
EP-2408744-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE Schering Corporation (US) 2012-01-25 EP disclosed
WO-2010107768-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2010-09-23 WO disclosed
WO-2010107768-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2010-09-23 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-20120022057-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT L3MBTL1 1070/4885LMNA 3371/4885NPC1 271/4885

“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.