SCHEMBL30520172

SCHEMBL30520172

O=C(Oc1ccc(Br)cc1)N1CCOCC1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.71
CYP2C9 P11712 1/20 0.71
CYP2C19 P33261 1/20 0.71
KMT2A Q03164 5/20 0.68
SMN1; SMN2 Q16637 5/20 0.68
RAB9A P51151 3/20 0.68
NPC1 O15118 2/20 0.68
KDM4E B2RXH2 1/20 0.68
TSHR P16473 2/20 0.65
MEN1 O00255 2/20 0.64
CASP3 P42574 1/20 0.64
SENP7 Q9BQF6 1/20 0.64
GAA P10253 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
TP53 P04637 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
MITF O75030 1/20 0.58
ALDH1A1 P00352 1/20 0.58
MAPT P10636 1/20 0.57

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
SCHEMBL5652014 0.95 KMT2A (0.76) CYP1A2CYP2C9CYP2C19KMT2ASMN1; SMN2
SCHEMBL830030 0.86 SMN1; SMN2 (0.78) CYP1A2CYP2C9CYP2C19KMT2ASMN1; SMN2
SCHEMBL25224294 0.84 ALDH1A1 (0.79) CYP1A2CYP2C9CYP2C19KMT2ASMN1; SMN2
SCHEMBL18343856 0.84 ALDH1A1 (0.72) CYP1A2CYP2C9CYP2C19KMT2ASMN1; SMN2
SCHEMBL8247308 0.83 CYP1A2 (1.00) CYP1A2CYP2C9CYP2C19KMT2ASMN1; SMN2
SCHEMBL19066237 0.83 ALDH1A1 (0.82) KMT2ASMN1; SMN2RAB9ANPC1TSHR
SCHEMBL5101418 0.83 KMT2A (0.82) CYP1A2CYP2C9CYP2C19KMT2ASMN1; SMN2
SCHEMBL4598628 0.81 EPHX1 (0.68) CYP1A2CYP2C9CYP2C19KMT2ASMN1; SMN2
SCHEMBL7380436 0.81 CYP1A2 (0.69) CYP1A2CYP2C9CYP2C19KMT2ASMN1; SMN2
SCHEMBL5649640 0.81 KMT2A (1.00) CYP1A2CYP2C9CYP2C19KMT2ASMN1; SMN2

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-11697636-B2 Substituted benzamides HOFFMANN-LA ROCHE INC. (US) 2023-07-11 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-11697636-B2 Substituted benzamides TAAR1, TAAR5, NPY1R CYP1A2 164/4885CYP2C9 350/4885CYP2C19 265/4885

“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.