SCHEMBL19682802

SCHEMBL19682802

Cc1cccc(C(C)Br)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.43
ACHE P22303 2/20 0.36
ESR1 P03372 1/20 0.35
CYP1A2 P05177 4/20 0.33
TSHR P16473 4/20 0.33
CYP3A4 P08684 3/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
SLC6A2 P23975 2/20 0.33
LMNA P02545 2/20 0.33
HTR2B P41595 2/20 0.33
FAAH O00519 1/20 0.33
GABRA1 P14867 1/20 0.33
HPGD P15428 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
PTGS1 P23219 1/20 0.33
HTR2C P28335 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33

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
SCHEMBL4547916 0.82 GABRA1 (0.46) ACHEESR1CYP1A2TSHRCYP3A4
SCHEMBL21608733 0.80 ACHE (0.37) ACHEESR1CYP1A2TSHRCYP3A4
SCHEMBL4455674 0.80 P2RX7 (0.44) P2RX7ACHECYP1A2TSHRCYP3A4
SCHEMBL30846952 0.80 P2RX7 (0.44) P2RX7ACHECYP1A2TSHRCYP3A4
SCHEMBL23520552 0.78 CYP1A2 (0.45) ACHEESR1CYP1A2TSHRCYP3A4
SCHEMBL1642111 0.78 HTR2C (0.38) ACHEESR1CYP1A2TSHRCYP3A4
SCHEMBL16958041 0.78 ACHE (0.36) ACHEESR1CYP1A2TSHRCYP3A4
SCHEMBL29945863 0.78 CYP1A2 (0.45) ACHEESR1CYP1A2TSHRCYP3A4
SCHEMBL23526532 0.78 CYP1A2 (0.45) ACHEESR1CYP1A2TSHRCYP3A4
SCHEMBL16951322 0.77 ACHE (0.39) ACHEESR1CYP1A2TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023088420-A1 1H-BENZO[B]AZEPIN-2(3H)-ONE COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING CANCER Chengdu Anticancer Bioscience, Ltd. (CN) 2023-05-25 WO disclosed
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
WO-2017209155-A1 SULFONAMIDE COMPOUND OR SALT THEREOF 大鵬薬品工業株式会社 2017-12-07 WO disclosed
CN-1980889-B Adamantyl pyrrolidin-2-one derivatives as inhibitors of 11-beta hydroxysteroid dehydrogenase JANSSEN PHARMACEUTICA NV 2010-11-10 CN disclosed
CN-101341133-A Quinazoline derivatives, process for their preparation and their use as anti-cancer agents ASTRAZENECA AB (SE) 2009-01-07 CN disclosed
CN-101048388-A Quinazolinone derivatives and their use as B-Raf inhibitors ASTRAZENECA AB (SE) 2007-10-03 CN disclosed
CN-1980889-A Adamantyl pyrrolidin-2-one derivatives as inhibitors of 11-beta hydroxysteroid dehydrogenase JANSSEN PHARMACEUTICA NV (BE) 2007-06-13 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 P2RX7 3672/4885ACHE 4707/4885ESR1 2532/4885
US-20200157066-A1 Sulfonamide Compound or Salt Thereof RNASEH1, SNRPA1, RRM2 P2RX7 3672/4885ACHE 4707/4885ESR1 2532/4885
US-10889555-B2 Sulfonamide compound or salt thereof RNASEH1, SNRPA1, RRM2 P2RX7 3672/4885ACHE 4707/4885ESR1 2532/4885
US-20200405697-A1 Antitumor Agent HNRNPR, RRM2, RRM2B P2RX7 3886/4885ACHE 4837/4885ESR1 3108/4885

“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.