SCHEMBL31428971

SCHEMBL31428971

CC(=O)N1/C(=C\c2ccc(OCC(=O)N3CCOCC3)cn2)C(=O)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FKBP1A P62942 9/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ ALDH1A1 P00352 6/20 0.45
▸ HPGD P15428 3/20 0.45
▸ USP2 O75604 1/20 0.45
▸ POLB P06746 2/20 0.45
▸ KEAP1 Q14145 1/20 0.44
▸ NFE2L2 Q16236 1/20 0.44
▸ PARP1 P09874 1/20 0.44
▸ TSHR P16473 1/20 0.43
▸ KDM4E B2RXH2 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ PDK2 Q15119 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ ALOX5 P09917 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ GAA P10253 1/20 0.42

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
SCHEMBL30163470 0.88 KEAP1 (0.45) FKBP1ASMN1; SMN2ALDH1A1HPGDUSP2
SCHEMBL31428607 0.84 FKBP1A (0.47) FKBP1ASMN1; SMN2ALDH1A1HPGDTSHR
SCHEMBL31428524 0.83 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1HPGDPOLBKDM4E
SCHEMBL31428687 0.80 FKBP1A (0.47) FKBP1ASMN1; SMN2ALDH1A1HPGDPOLB
SCHEMBL30163514 0.79 ALDH1A1 (0.60) SMN1; SMN2ALDH1A1HPGDPOLBKDM4E
SCHEMBL31428724 0.78 FKBP1A (0.53) FKBP1ASMN1; SMN2ALDH1A1HPGDPOLB
SCHEMBL31428466 0.78 ALDH1A1 (0.46) FKBP1ASMN1; SMN2ALDH1A1HPGDPARP1
SCHEMBL31428820 0.77 MAPT (0.48) SMN1; SMN2ALDH1A1USP2KDM4EMAPT
SCHEMBL31428606 0.75 ALDH1A1 (0.47) FKBP1ASMN1; SMN2ALDH1A1HPGDPOLB
SCHEMBL31428696 0.73 HTR2C (0.48) SMN1; SMN2ALDH1A1HPGDTSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250091994-A1 RAS/RAF BINDING INHIBITOR COMPOUND NATIONAL UNIVERSITY CORPORATION KOBE UNIVERSITY (JP) 2025-03-20 — — 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 (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-20250091994-A1 RAS/RAF BINDING INHIBITOR COMPOUND BRAF, RAF1, NRAS FKBP1A 2064/4885SMN1; SMN2 4832/4885ALDH1A1 2352/4885

“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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