SCHEMBL3935720

SCHEMBL3935720

CC(C)Oc1ccc(-c2cc(C(N)=O)no2)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.51
KMO O15229 2/20 0.51
S1PR1 P21453 5/20 0.49
MAPT P10636 4/20 0.49
KDM4E B2RXH2 1/20 0.49
HSD17B10 Q99714 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
POLB P06746 2/20 0.48
NPC1 O15118 1/20 0.48
LMNA P02545 1/20 0.48
RAB9A P51151 1/20 0.48
MAPK1 P28482 1/20 0.48
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
S1PR3 Q99500 2/20 0.46
S1PR5 Q9H228 1/20 0.46
THRB P10828 1/20 0.46
RORC P51449 1/20 0.44
MAP4K4 O95819 1/20 0.44

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
SCHEMBL3940368 0.89 KMO (0.61) NOTUMKMOS1PR1MAPTKDM4E
SCHEMBL3930124 0.83 ACR (0.57) NOTUMKMOS1PR1MAPTPOLB
SCHEMBL13901891 0.82 MAPT (0.56) MAPTKDM4EHSD17B10SMN1; SMN2POLB
SCHEMBL3935954 0.82 MAPT (0.56) MAPTKDM4EHSD17B10SMN1; SMN2POLB
SCHEMBL4093749 0.82 MAPT (0.56) MAPTKDM4EHSD17B10SMN1; SMN2POLB
SCHEMBL3935996 0.82 HSD17B10 (0.63) MAPTKDM4EHSD17B10SMN1; SMN2POLB
SCHEMBL13901892 0.81 SMN1; SMN2 (0.61) MAPTKDM4EHSD17B10SMN1; SMN2POLB
SCHEMBL3935956 0.79 MAPT (0.53) S1PR1MAPTKDM4EHSD17B10SMN1; SMN2
SCHEMBL3944422 0.79 S1PR1 (0.50) NOTUMKMOS1PR1S1PR3S1PR5
SCHEMBL3933350 0.79 NOTUM (0.56) NOTUMKMOS1PR1MAPTS1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
WO-2009011850-A2 NOVEL THERAPEUTIC COMPOUNDS ABBOTT LABORATORIES (US) 2009-01-22 WO disclosed
WO-2009011850-A2 NOVEL THERAPEUTIC COMPOUNDS ABBOTT LABORATORIES (US) 2009-01-22 WO 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 NOTUM 4217/4885KMO 3801/4885S1PR1 1120/4885

“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.