SCHEMBL9675207

SCHEMBL9675207

CC(F)c1nc2ccccc2[nH]1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.72
ALDH1A1 P00352 2/20 0.72
IDO1 P14902 1/20 0.61
TAAR1 Q96RJ0 1/20 0.58
MLKL Q8NB16 3/20 0.57
ALOX12 P18054 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 1/20 0.50
ABCB11 O95342 1/20 0.50
TP53 P04637 1/20 0.50
PKM P14618 1/20 0.50
RAB9A P51151 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ALPL P05186 1/20 0.50
MAPK1 P28482 1/20 0.50
TSHR P16473 1/20 0.48
GAA P10253 1/20 0.47

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
SCHEMBL30665026 0.84 ALDH1A1 (0.66) POLBALDH1A1IDO1TAAR1MLKL
SCHEMBL2147079 0.84 ALDH1A1 (0.66) POLBALDH1A1IDO1TAAR1MLKL
SCHEMBL29406845 0.84 ALDH1A1 (1.00) POLBALDH1A1IDO1TAAR1MLKL
SCHEMBL477272 0.84 ALDH1A1 (1.00) POLBALDH1A1IDO1TAAR1MLKL
SCHEMBL85832 0.84 ALDH1A1 (0.66) POLBALDH1A1IDO1TAAR1MLKL
SCHEMBL23181664 0.81 POLB (0.61) POLBALDH1A1IDO1TAAR1MLKL
SCHEMBL8330903 0.81 TAAR1 (0.68) POLBALDH1A1IDO1TAAR1MLKL
SCHEMBL21180833 0.81 POLB (0.61) POLBALDH1A1IDO1TAAR1MLKL
SCHEMBL22761575 0.81 POLB (0.61) POLBALDH1A1IDO1TAAR1MLKL
SCHEMBL524001 0.81 TAAR1 (0.68) POLBALDH1A1IDO1TAAR1MLKL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230152692-A1 CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-18 US disclosed
US-20230129089-A1 PREPARATION OF A 1,3,5-TRIAZINYL BENZIMIDAZOLE MEI PHARMA, INC. 2023-04-27 US disclosed
EP-0276942-B1 6-BETA(SUBSTITUTED)-(S)-HYDROXYMETHYLPENICILLANIC ACIDS AND DERIVATIVES THEREOF PFIZER INC. (US) 1992-04-01 EP disclosed
US-4782050-A BACTERICIDES PFIZER INC. (US) 1988-11-01 US disclosed
EP-0276942-A1 6-Beta(substituted)-(S)-hydroxymethylpenicillanic acids and derivatives thereof PFIZER INC. (US) 1988-08-03 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-20230129089-A1 PREPARATION OF A 1,3,5-TRIAZINYL BENZIMIDAZOLE CYP2E1, CYP3A4, PAICS POLB 114/4885ALDH1A1 462/4885IDO1 1088/4885

“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.