SCHEMBL3899360

SCHEMBL3899360

C=Cc1ccc(C(=O)O)c(N)c1.NC(=O)N1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC2 Q92769 2/20 0.51
IP6K1 Q92551 1/20 0.40
MCL1 Q07820 1/20 0.37
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 4/20 0.36
HSD17B10 Q99714 3/20 0.36
HPGD P15428 1/20 0.36
GAA P10253 3/20 0.36
POLB P06746 3/20 0.36
TDP1 Q9NUW8 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HTT P42858 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
ALOX15 P16050 2/20 0.35
CYP3A4 P08684 2/20 0.35
TSHR P16473 1/20 0.35
TBK1 Q9UHD2 1/20 0.35

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
SCHEMBL3905805 0.83 HDAC3 (0.56) HDAC3HDAC1HDAC2KDM4EALDH1A1
SCHEMBL4474908 0.83 ALDH1A1 (0.49) HDAC3HDAC1HDAC2MCL1KDM4E
SCHEMBL3900588 0.82 MAPT (0.46) HDAC3HDAC1HDAC2KDM4EALDH1A1
SCHEMBL3911525 0.80 RAB9A (0.55) IP6K1KDM4EALDH1A1HPGDGAA
SCHEMBL3895566 0.80 KDM4E (0.49) IP6K1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL3911100 0.80 IP6K1 (0.42) IP6K1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL3908856 0.77 PPM1B (0.51) IP6K1MCL1KDM4EALDH1A1HSD17B10
SCHEMBL3905789 0.76 HPGD (0.68) IP6K1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL3909834 0.75 ALDH1A1 (0.69) ALDH1A1HPGDGAAPOLBTDP1
SCHEMBL3899365 0.75 HDAC3 (0.46) HDAC3HDAC1HDAC2IP6K1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1675837-A2 BENZO [1,2,5] THIADIAZOLE COMPOUNDS AS CCK2 MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-05 EP disclosed
WO-2005012275-A2 BENZO [1, 2, 5] THIADIAZOLE COMPOUNDS AS CCK2 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-10 WO 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 HDAC3 1351/4885HDAC1 1315/4885HDAC2 576/4885
US-20040224983-A1 Benzo[1,2,5]thiadiazole compounds CCKBR, CCKAR, BRSK2 HDAC3 1420/4885HDAC1 1173/4885HDAC2 418/4885

“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.