SCHEMBL30849385

SCHEMBL30849385

O=[N+]([O-])c1ccc2c(c1)OC(F)(F)C(F)(F)O2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
HIF1A Q16665 1/20 0.43
TSHR P16473 3/20 0.42
LMNA P02545 1/20 0.42
CA9 Q16790 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
TDP1 Q9NUW8 4/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP3A4 P08684 2/20 0.41
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
PTPRC P08575 1/20 0.40
S100A4 P26447 1/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GPR35 Q9HC97 2/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL30330229 0.89 ALDH1A1 (0.43) ALDH1A1HIF1ATSHRLMNACA9
SCHEMBL9230962 0.89 ALDH1A1 (0.43) ALDH1A1HIF1ATSHRLMNACA9
SCHEMBL9424845 0.83 CYP1A2 (0.54) ALDH1A1TSHRLMNACA9CA12
SCHEMBL10920807 0.81 HSD17B10 (0.46) ALDH1A1HIF1ATSHRLMNACA9
SCHEMBL22058720 0.81 CA1 (0.46) ALDH1A1TSHRLMNACA9CA12
SCHEMBL24179080 0.81 TSHR (0.42) ALDH1A1HIF1ATSHRLMNACA9
SCHEMBL10577722 0.81 AKR1B1 (0.48) ALDH1A1HIF1ATSHRLMNACA9
SCHEMBL10686639 0.81 ALDH1A1 (0.40) ALDH1A1HIF1ATSHRLMNACA9
SCHEMBL5311818 0.79 AKR1B1 (0.46) ALDH1A1TSHRLMNACA9CA1
SCHEMBL9427783 0.77 AKR1B1 (0.42) ALDH1A1TSHRLMNACA9CA12

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-20240327388-A1 QUINOLINAMINE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN PHARMACEUTICALS JIANGSU HENGRUI PHARMACEUTICALS CO., LTD. (CN) 2024-10-03 US disclosed
EP-4349831-A1 QUINOLINAMINE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN PHARMACEUTICALS Jiangsu Hengrui Pharmaceuticals Co., Ltd. (CN) 2024-04-10 EP 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-20240327388-A1 QUINOLINAMINE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN PHARMACEUTICALS QARS1, THEM6, CYP4F11 ALDH1A1 3382/4885HIF1A 1122/4885TSHR 4764/4885

“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.