SCHEMBL26097728

SCHEMBL26097728

C=C(Cc1c([N+](=O)[O-])cccc1C(F)(F)F)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.43
▸ CES2 O00748 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ CES1 P23141 1/20 0.40
▸ ENPP2 Q13822 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ GAA P10253 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CYP1A2 P05177 3/20 0.35
▸ CYP3A4 P08684 3/20 0.35
▸ ADORA3 P0DMS8 3/20 0.35
▸ MAPT P10636 3/20 0.35
▸ CYP2C9 P11712 3/20 0.35
▸ CYP2C19 P33261 3/20 0.35
▸ CACNA1C Q13936 3/20 0.35
▸ TSHR P16473 3/20 0.35

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
SCHEMBL17974652 0.78 NPSR1 (0.48) ALDH1A1CES2ACHECES1ENPP2
SCHEMBL17857084 0.78 ALDH1A1 (0.46) ALDH1A1CES2ENPP2TDP1NPSR1
SCHEMBL27600648 0.77 ALDH1A1 (0.41) ALDH1A1CES2ACHECES1ENPP2
SCHEMBL7458876 0.75 ALDH1A1 (0.46) ALDH1A1CES2ENPP2TDP1NPSR1
SCHEMBL27600650 0.72 ALDH1A1 (0.38) ALDH1A1CES2ACHECES1ENPP2
SCHEMBL18816146 0.72 ALDH1A1 (0.47) ALDH1A1ENPP2TDP1RAB9ASMN1; SMN2
SCHEMBL31184606 0.72 ALDH1A1 (0.43) ALDH1A1ENPP2TDP1NPSR1SMN1; SMN2
SCHEMBL9550132 0.72 ALDH1A1 (0.43) ALDH1A1ENPP2TDP1NPSR1SMN1; SMN2
SCHEMBL2873795 0.72 ALDH1A1 (0.43) ALDH1A1ENPP2TDP1NPSR1SMN1; SMN2
SCHEMBL29860136 0.72 ALDH1A1 (0.43) ALDH1A1CES2ACHECES1ENPP2

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-12304915-B2 SOS1 inhibitors Mirati Therapeutics, Inc. (US) 2025-05-20 — — US disclosed
US-20230137886-A1 SOS1 INHIBITORS Mirati Therapeutics, Inc. 2023-05-04 — — 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-12304915-B2 SOS1 inhibitors SOS1, SOS2, SAV1 ALDH1A1 3260/4885CES2 4258/4885ACHE 4429/4885
US-20230137886-A1 SOS1 INHIBITORS SOS1, SOS2, SAV1 ALDH1A1 3260/4885CES2 4258/4885ACHE 4429/4885

“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.

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