SCHEMBL3901092

SCHEMBL3901092

Nc1cc(Cl)ccc1C(=O)N1CCCC1CO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.48
PKM P14618 1/20 0.48
HRH3 Q9Y5N1 1/20 0.47
KDM4E B2RXH2 4/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
POLB P06746 1/20 0.45
HSD11B1 P28845 1/20 0.43
ALDH1A1 P00352 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
SPHK1 Q9NYA1 2/20 0.42
SPHK2 Q9NRA0 1/20 0.42
DPP4 P27487 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
TRPV1 Q8NER1 2/20 0.41
KCNH2 Q12809 1/20 0.41
PIK3CA P42336 2/20 0.41

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
SCHEMBL3901085 0.86 HRH3 (0.46) RAB9AHRH3KDM4EGAAHTT
SCHEMBL488038 0.83 L3MBTL1 (0.46) RAB9AHRH3KDM4EGAAHTT
SCHEMBL488036 0.83 L3MBTL1 (0.46) RAB9AHRH3KDM4EGAAHTT
SCHEMBL3910795 0.82 HSD11B1 (0.53) RAB9APKMKDM4EPOLBHSD11B1
SCHEMBL3904105 0.78 HPGD (0.57) RAB9APKMKDM4EGAAHTT
SCHEMBL13243060 0.77 DPP4 (0.49) RAB9AL3MBTL1POLBLMNASPHK2
SCHEMBL13243067 0.77 DPP4 (0.49) RAB9AL3MBTL1POLBLMNASPHK2
SCHEMBL15402004 0.77 PDE10A (0.48) RAB9AKDM4EGAAL3MBTL1POLB
SCHEMBL3902073 0.76 ALOX5 (0.51) RAB9APKMKDM4EL3MBTL1ALDH1A1
SCHEMBL18100012 0.76 POLB (0.44) RAB9AL3MBTL1POLBTDP1LMNA

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-7241759-B2 Benzo[1,2,5]thiadiazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-10 US claimed
US-7550492-B2 Benzo[1,2,5]thiadiazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-06-23 US disclosed
US-20070276016-A1 BENZO[1,2,5]THIADIAZOLE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-29 US disclosed
US-7241759-B2 Benzo[1,2,5]thiadiazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-10 US disclosed
US-20040224983-A1 Benzo[1,2,5]thiadiazole compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2004-11-11 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 (2 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-20070276016-A1 BENZO[1,2,5]THIADIAZOLE COMPOUNDS CCKBR, CCKAR, GIPR RAB9A 2365/4885PKM 3580/4885HRH3 1341/4885
US-20040224983-A1 Benzo[1,2,5]thiadiazole compounds CCKBR, CCKAR, BRSK2 RAB9A 2813/4885PKM 3769/4885HRH3 1642/4885

“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.