SCHEMBL22915214

SCHEMBL22915214

Cc1ccc([C@]2(C(F)(F)F)Nc3ccccc3C(=O)O2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
LMNA P02545 4/20 0.50
TDP1 Q9NUW8 2/20 0.50
TP53 P04637 1/20 0.45
HTT P42858 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
POLB P06746 2/20 0.40
MAPT P10636 1/20 0.40
TNKS2 Q9H2K2 1/20 0.39
HPGD P15428 2/20 0.36
CSNK1G1 Q9HCP0 1/20 0.36
ROS1 P08922 1/20 0.35
CDK5 Q00535 1/20 0.35
ACVR1 Q04771 1/20 0.35
LRRK2 Q5S007 1/20 0.35
KDM4E B2RXH2 2/20 0.35
RAD52 P43351 1/20 0.35
ATM Q13315 1/20 0.35
HSD17B10 Q99714 3/20 0.34
MAOA P21397 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
SCHEMBL22915137 0.88 TP53 (0.52) ALDH1A1LMNATDP1TP53HTT
SCHEMBL22915160 0.88 TP53 (0.52) ALDH1A1LMNATDP1TP53HTT
SCHEMBL22915150 0.87 TP53 (0.43) ALDH1A1LMNATDP1TP53HTT
SCHEMBL22915127 0.86 TP53 (0.43) ALDH1A1LMNATDP1TP53HTT
SCHEMBL22915173 0.86 TP53 (0.43) ALDH1A1LMNATDP1TP53HTT
SCHEMBL22915219 0.85 LMNA (0.50) ALDH1A1LMNATDP1TP53HTT
SCHEMBL22915165 0.85 TP53 (0.60) ALDH1A1LMNATDP1TP53NPSR1
SCHEMBL22915143 0.83 TP53 (0.55) ALDH1A1LMNATDP1TP53NPSR1
SCHEMBL22915121 0.83 TP53 (0.52) ALDH1A1LMNATDP1TP53HTT
SCHEMBL22915193 0.80 TP53 (0.43) ALDH1A1LMNATDP1TP53HTT

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-11440892-B2 Substituted dihydrobenzoxazinones, dihydroquinolones, and methods of their use and synthesis NORTHWESTERN UNIVERSITY (US) 2022-09-13 US disclosed
US-20210024473-A1 SUBSTITUTED DIHYDROBENZOXAZINONES, DIHYDROQUINOLONES, AND METHODS OF THEIR USE AND SYNTHESIS NORTHWESTERN UNIVESITY 2021-01-28 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 (2 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-20210024473-A1 SUBSTITUTED DIHYDROBENZOXAZINONES, DIHYDROQUINOLONES, AND METHODS OF THEIR USE AND SYNTHESIS NQO1, DHPS, NQO2 ALDH1A1 633/4885LMNA 1464/4885TDP1 2088/4885
US-11440892-B2 Substituted dihydrobenzoxazinones, dihydroquinolones, and methods of their use and synthesis NQO1, DHPS, NQO2 ALDH1A1 633/4885LMNA 1464/4885TDP1 2088/4885

“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.