SCHEMBL19682807

SCHEMBL19682807

CCc1c(C)cccc1C(C)Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.37
GABRA1 P14867 3/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
ESR1 P03372 1/20 0.33
MAPK1 P28482 1/20 0.33
SCN4A P35499 5/20 0.32
TSHR P16473 4/20 0.32
CYP1A2 P05177 4/20 0.32
LMNA P02545 3/20 0.32
CYP3A4 P08684 3/20 0.32
MAOA P21397 2/20 0.32
SCN1A P35498 2/20 0.32
SCN5A Q14524 2/20 0.32
SCN9A Q15858 2/20 0.32
HTR2B P41595 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C9 P11712 2/20 0.32

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
SCHEMBL9734713 0.83 GABRA1 (0.54) GABRA1GABRG2GABRB3NOS3NOS2
SCHEMBL9621062 0.83 GABRA1 (0.39) GABRA1GABRG2GABRB3NOS3NOS2
SCHEMBL16957862 0.80 GABRA1 (0.36) GABRA1GABRG2GABRB3NOS3NOS2
SCHEMBL10283560 0.78 ESR1 (0.34) GABRA1GABRG2GABRB3NOS3NOS2
SCHEMBL11282010 0.76 TYR (0.42) ESR1SCN4ATSHRCYP1A2LMNA
SCHEMBL10830972 0.75 P2RX7 (0.39) P2RX7GABRA1GABRG2GABRB3ESR1
SCHEMBL597056 0.75 CYP2A6 (0.45) GABRA1NOS3NOS2TSHRCYP1A2
SCHEMBL11856417 0.74 TSHR (0.46) P2RX7GABRA1GABRG2GABRB3ESR1
SCHEMBL624799 0.73 ESR1 (0.52) P2RX7GABRA1ESR1TSHRCYP1A2
SCHEMBL16308863 0.73 ESR1 (0.52) P2RX7GABRA1ESR1TSHRCYP1A2

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 7 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

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 P2RX7 3672/4885GABRA1 4118/4885GABRG2 4252/4885
US-20200157066-A1 Sulfonamide Compound or Salt Thereof RNASEH1, SNRPA1, RRM2 P2RX7 3672/4885GABRA1 4118/4885GABRG2 4252/4885
US-10889555-B2 Sulfonamide compound or salt thereof RNASEH1, SNRPA1, RRM2 P2RX7 3672/4885GABRA1 4118/4885GABRG2 4252/4885
US-20200405697-A1 Antitumor Agent HNRNPR, RRM2, RRM2B P2RX7 3886/4885GABRA1 3641/4885GABRG2 3903/4885

“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.