SCHEMBL31428591

SCHEMBL31428591

O=C(COc1ccc2ncccc2c1)N1CCOCC1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 10/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
HPGD P15428 2/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
POLB P06746 1/20 0.56
KEAP1 Q14145 1/20 0.56
NFE2L2 Q16236 1/20 0.56
ALDH1A1 P00352 4/20 0.55
SCN7A Q01118 1/20 0.54
KCNH2 Q12809 1/20 0.54
USP2 O75604 1/20 0.53
MAPT P10636 2/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
KDM4E B2RXH2 1/20 0.52

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
SCHEMBL31428510 0.82 FKBP1A (0.65) FKBP1ASMN1; SMN2HPGDNPC1RAB9A
SCHEMBL24977050 0.81 ALDH1A1 (0.60) FKBP1ASMN1; SMN2HPGDNPC1RAB9A
SCHEMBL31428972 0.81 ALDH1A1 (0.60) FKBP1ASMN1; SMN2HPGDNPC1RAB9A
SCHEMBL5064530 0.79 ALDH1A1 (0.63) SMN1; SMN2POLBALDH1A1KCNH2MAPT
SCHEMBL31428940 0.79 FKBP1A (0.56) FKBP1ASMN1; SMN2NPC1ALDH1A1KCNH2
SCHEMBL7978731 0.76 PTPN7 (0.66) SMN1; SMN2NPC1RAB9APOLBALDH1A1
SCHEMBL6984876 0.76 MKNK1 (0.62) SMN1; SMN2HPGD
SCHEMBL31428914 0.76 FKBP1A (0.61) FKBP1ASMN1; SMN2HPGDPOLBKEAP1
SCHEMBL1101337 0.76 KDM4E (0.68) FKBP1ASMN1; SMN2HPGDNPC1RAB9A
SCHEMBL12606385 0.76 RIPK1 (0.51) FKBP1ASMN1; SMN2HPGDNPC1RAB9A

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 4832/4885HPGD 4233/4885

“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.