SCHEMBL11856417

SCHEMBL11856417

Cc1cccc(C(C)Br)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.46
ADRA2A P08913 4/20 0.46
ADRA2B P18089 4/20 0.46
ADRA2C P18825 4/20 0.46
CYP1A2 P05177 4/20 0.46
ADRA1A P35348 3/20 0.46
ADRA1B P35368 3/20 0.46
CYP3A4 P08684 3/20 0.46
ADRA1D P25100 2/20 0.46
KCNH2 Q12809 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
TP53 P04637 1/20 0.46
CYP2C19 P33261 1/20 0.46
SLC6A2 P23975 2/20 0.44
HTR7 P34969 1/20 0.44
P2RX7 Q99572 1/20 0.41
TRPA1 O75762 1/20 0.41
ATM Q13315 1/20 0.41
ESR1 P03372 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
SCHEMBL11863728 0.87 P2RX7 (0.45) TSHRADRA2AADRA2BADRA2CCYP1A2
SCHEMBL1053969 0.82 TSHR (0.55) TSHRADRA2AADRA2BADRA2CCYP1A2
SCHEMBL8036242 0.81 ADRA2A (0.46) TSHRADRA2AADRA2BADRA2CCYP1A2
SCHEMBL30647211 0.80 ESR1 (0.52) TSHRADRA2AADRA2BADRA2CCYP1A2
SCHEMBL624799 0.80 ESR1 (0.52) TSHRADRA2AADRA2BADRA2CCYP1A2
SCHEMBL16308863 0.80 ESR1 (0.52) TSHRADRA2AADRA2BADRA2CCYP1A2
SCHEMBL29403593 0.80 ESR1 (0.52) TSHRADRA2AADRA2BADRA2CCYP1A2
SCHEMBL196657 0.80 TSHR (0.50) TSHRADRA2AADRA2BADRA2CCYP1A2
SCHEMBL16308826 0.80 ESR1 (0.52) TSHRADRA2AADRA2BADRA2CCYP1A2
SCHEMBL11859274 0.79 P2RX7 (0.40) TSHRADRA2AADRA2BADRA2CCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3962357-A FROM SUBSTITUTED ETHYLTOLUENE, CONTINUOUS, SINGLE STEP ROHM AND HAAS COMPANY (US) 1976-06-08 US claimed
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
CN-106866538-B A kind of preparation method of Dexmedetomidine and its intermediate 江苏恒瑞医药股份有限公司 2019-04-05 CN 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-106588780-A Process for preparing dexmedetomidine hydrochloride intermediate 青岛辰达生物科技有限公司 2017-04-26 CN disclosed
CN-106187901-A Preparation method of dexmedetomidine and intermediate thereof 江苏恒瑞医药股份有限公司 2016-12-07 CN disclosed
US-3962357-A FROM SUBSTITUTED ETHYLTOLUENE, CONTINUOUS, SINGLE STEP ROHM AND HAAS COMPANY (US) 1976-06-08 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 (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 TSHR 840/4885ADRA2A 3218/4885ADRA2B 2991/4885
US-20200157066-A1 Sulfonamide Compound or Salt Thereof RNASEH1, SNRPA1, RRM2 TSHR 840/4885ADRA2A 3218/4885ADRA2B 2991/4885
US-10889555-B2 Sulfonamide compound or salt thereof RNASEH1, SNRPA1, RRM2 TSHR 840/4885ADRA2A 3218/4885ADRA2B 2991/4885
US-20200405697-A1 Antitumor Agent HNRNPR, RRM2, RRM2B TSHR 284/4885ADRA2A 2938/4885ADRA2B 3116/4885

“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.