SCHEMBL19682355

SCHEMBL19682355

Cc1ccc2ccccc2c1C(C)Br

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.54
TSHR P16473 5/20 0.54
CYP2A6 P11509 4/20 0.54
ALDH1A1 P00352 7/20 0.46
HSD17B10 Q99714 5/20 0.44
TDP1 Q9NUW8 2/20 0.44
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ACP3 P15309 1/20 0.41
HPGD P15428 3/20 0.41
HPRT1 P00492 1/20 0.41
HIF1A Q16665 2/20 0.39
CYP3A4 P08684 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
RAB9A P51151 1/20 0.39
CASP7 P55210 1/20 0.39
ATM Q13315 1/20 0.39
NCEH1 Q6PIU2 1/20 0.38

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
SCHEMBL18242403 0.86 CYP1A2 (0.52) CYP1A2TSHRCYP2A6ALDH1A1HSD17B10
SCHEMBL2126761 0.85 CYP1A2 (0.56) CYP1A2TSHRCYP2A6ALDH1A1HSD17B10
SCHEMBL2440482 0.82 TSHR (0.52) CYP1A2TSHRCYP2A6ALDH1A1HSD17B10
SCHEMBL9828476 0.82 CYP2A6 (0.52) CYP1A2TSHRCYP2A6ALDH1A1HSD17B10
Hydrogen Peroxide SCHEMBL8610674 0.82 CYP1A2 (0.52) CYP1A2TSHRCYP2A6ALDH1A1HSD17B10
SCHEMBL1707630 0.82 CYP2A6 (0.52) CYP1A2TSHRCYP2A6ALDH1A1HSD17B10
SCHEMBL6619213 0.80 CYP1A2 (0.46) CYP1A2TSHRCYP2A6ALDH1A1HSD17B10
SCHEMBL10634101 0.79 TSHR (0.48) CYP1A2TSHRCYP2A6ALDH1A1HSD17B10
SCHEMBL16582519 0.79 TSHR (0.48) CYP1A2TSHRCYP2A6ALDH1A1HSD17B10
SCHEMBL11253565 0.78 TSHR (0.52) CYP1A2TSHRCYP2A6ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10889555-B2 Sulfonamide compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2021-01-12 US disclosed
US-20200405697-A1 Antitumor Agent TAIHO PHARMACEUTICAL CO., LTD. (JP) 2020-12-31 US disclosed
US-20200399235-A1 Sulfonamide Compound or Salt Thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2020-12-24 US disclosed
EP-3718545-A1 ANTITUMOR AGENT Taiho Pharmaceutical Co., Ltd. (JP) 2020-10-07 EP disclosed
US-20200157066-A1 Sulfonamide Compound or Salt Thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2020-05-21 US disclosed
EP-3466934-A1 SULFONAMIDE COMPOUND OR SALT THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2019-04-10 EP disclosed
WO-2017209155-A1 SULFONAMIDE COMPOUND OR SALT THEREOF 大鵬薬品工業株式会社 2017-12-07 WO disclosed
CN-101374832-B Use of 4-imidazole derivatives for CNS disorders HOFFMANN LA ROCHE 2013-03-06 CN disclosed
CN-101374832-A Use of 4-imidazole derivatives for CNS disorders HOFFMANN LA ROCHE (CH) 2009-02-25 CN 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 (4 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-20200399235-A1 Sulfonamide Compound or Salt Thereof RNASEH1, SNRPA1, RRM2 CYP1A2 1220/4885TSHR 840/4885CYP2A6 2396/4885
US-20200157066-A1 Sulfonamide Compound or Salt Thereof RNASEH1, SNRPA1, RRM2 CYP1A2 1220/4885TSHR 840/4885CYP2A6 2396/4885
US-10889555-B2 Sulfonamide compound or salt thereof RNASEH1, SNRPA1, RRM2 CYP1A2 1220/4885TSHR 840/4885CYP2A6 2396/4885
US-20200405697-A1 Antitumor Agent HNRNPR, RRM2, RRM2B CYP1A2 1869/4885TSHR 284/4885CYP2A6 3134/4885

“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.