SCHEMBL4093680

SCHEMBL4093680

Nc1cc(-c2ccccc2)no1.O=C(Cl)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NOTUM Q6P988 2/20 0.44
NPC1 O15118 4/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDR P35968 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 1/20 0.39
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL224856 0.80 RAB9A (0.61) RAB9ASMN1; SMN2NOTUMNPC1MEN1
SCHEMBL4266351 0.74 CYP2A6 (0.45) RAB9ASMN1; SMN2NPC1ALDH1A1CYP2C9
SCHEMBL23292571 0.74 NOTUM (0.45) RAB9ASMN1; SMN2NOTUMNPC1MEN1
SCHEMBL23292595 0.74 MAOA (0.47) RAB9ASMN1; SMN2NOTUMNPC1MEN1
SCHEMBL27293995 0.73 CES1 (0.64) MEN1KMT2AALDH1A1CYP3A4CYP2C9
SCHEMBL1493 0.73 CES1 (0.64) MEN1KMT2AALDH1A1CYP3A4CYP2C9
SCHEMBL3045808 0.72 RAB9A (0.64) RAB9ASMN1; SMN2NOTUMNPC1MEN1
SCHEMBL5734215 0.71 KDM4E (0.50) RAB9ANPC1KDRALDH1A1TSHR
Urea SCHEMBL28745676 0.71 CES1 (0.56) MEN1KMT2AALDH1A1TSHRLMNA
Hydrogen Sulfide SCHEMBL27809609 0.71 CES1 (0.61) MEN1KMT2AALDH1A1CYP3A4CYP2C9

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-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 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-20090069288-A1 Novel therapeutic compounds MAP3K20, RPS6KB1, MAP3K1 RAB9A 1496/4885SMN1; SMN2 3501/4885NOTUM 4217/4885

“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.