SCHEMBL29860095

SCHEMBL29860095

O=C1Nc2cc(F)ccc2C12CC2

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.51
TNKS2 Q9H2K2 1/20 0.51
CYP1A2 P05177 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.46
NR3C2 P08235 6/20 0.42
PGR P06401 3/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2D6 P10635 1/20 0.42
HTR1A P08908 1/20 0.40
HTR2A P28223 1/20 0.40
HTR7 P34969 1/20 0.40
HTR6 P50406 1/20 0.40
MAPK14 Q16539 3/20 0.40
BACE1 P56817 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
SCHEMBL16858420 1.00 TNKS (0.51) TNKSTNKS2CYP1A2MAPTCYP2C19
SCHEMBL1971453 0.93 TNKS (0.52) TNKSTNKS2CYP1A2MAPTCYP2C19
SCHEMBL29610797 0.93 TNKS (0.52) TNKSTNKS2CYP1A2MAPTCYP2C19
SCHEMBL19838281 0.93 TNKS (0.52) TNKSTNKS2CYP1A2MAPTCYP2C19
SCHEMBL29622048 0.93 TNKS (0.52) TNKSTNKS2CYP1A2MAPTCYP2C19
SCHEMBL4719167 0.91 TNKS (0.51) TNKSTNKS2CYP1A2MAPTCYP2C19
SCHEMBL23778308 0.90 TNKS (0.50) TNKSTNKS2CYP1A2MAPTCYP2C19
SCHEMBL20955239 0.90 NR3C2 (0.52) TNKSTNKS2CYP1A2MAPTCYP2C19
SCHEMBL2268702 0.85 CYP1A2 (0.63) CYP1A2MAPTCYP2C19KMT2APGR
SCHEMBL11225066 0.79 CYP1A2 (0.51) CYP1A2CYP2C19PGRCYP3A4MAPK14

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
CN-119285628-A Compounds for the treatment and prophylaxis of respiratory syncytial virus infection diseases 石药集团中奇制药技术(石家庄)有限公司 2025-01-10 CN disclosed
WO-2024201248-A1 COMPOUNDS AND METHODS FOR DEGRADING GSPT1 PIN THERAPEUTICS, INC. (KR) 2024-10-03 WO disclosed
US-20240150287-A1 N-(BENZOYL)-PHENYLALANINE COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF HANGZHOU APELOA MEDICINE RESEARCH INSTITUTE CO., LTD. (CN) 2024-05-09 US disclosed
CN-114853659-A N- (benzoyl) -phenylalanine compounds, pharmaceutical compositions containing same, and uses thereof 普洛药业股份有限公司 2022-08-05 CN 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-20240150287-A1 N-(BENZOYL)-PHENYLALANINE COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF ITGB7, ITGB4, ITGA4 TNKS 1889/4885TNKS2 2263/4885CYP1A2 1699/4885

“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.