SCHEMBL21294933

SCHEMBL21294933

C=C(CI)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
SRD5A2 P31213 1/20 0.41
HPGD P15428 4/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
KMO O15229 3/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.38
NPFFR2 Q9Y5X5 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
SCHEMBL17411406 0.83 TSHR (0.47) TSHRMAOAMAOBSRD5A2HPGD
SCHEMBL16795752 0.81 TSHR (0.48) TSHRMAOAMAOBSRD5A2HPGD
SCHEMBL2016516 0.79 TSHR (0.47) TSHRMAOAMAOBSRD5A2HPGD
SCHEMBL990763 0.79 TSHR (0.47) TSHRMAOAMAOBSRD5A2HPGD
SCHEMBL3194118 0.78 HPGD (0.47) TSHRMAOAMAOBSRD5A2HPGD
SCHEMBL20619804 0.76 MAOA (0.44) TSHRMAOAMAOBSRD5A2HPGD
SCHEMBL13958953 0.76 MAOA (0.55) TSHRMAOAMAOBSRD5A2KDM4E
SCHEMBL23792292 0.75 HPGD (0.50) TSHRMAOAMAOBHPGDKMO
SCHEMBL2017777 0.73 TSHR (0.49) TSHRMAOAMAOBHPGDHTT
SCHEMBL28601272 0.73 TSHR (0.54) TSHRSRD5A2HPGDPOLBHTT

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-20220081423-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2022-03-17 US disclosed
US-11028075-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2021-06-08 US disclosed
EP-3759098-A1 PYRIDINE-SULFONAMIDE COMPOUNDS AND THEIR USE AGAINST PAIN AND RELATED CONDITIONS Genentech, Inc. (US) 2021-01-06 EP disclosed
CN-112041313-A Pyridine-sulfonamide compounds and their use against pain and related conditions 基因泰克公司 2020-12-04 CN disclosed
US-20190263786-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-08-29 US disclosed
WO-2019165290-A1 PYRIDINE-SULFONAMIDE COMPOUNDS AND THEIR USE AGAINST PAIN AND RELATED CONDITIONS GENENTECH, INC. (US) 2019-08-29 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 (3 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-20190263786-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF ASAH2, ACER2, PCSK9 TSHR 2777/4885MAOA 2521/4885MAOB 1656/4885
US-20220081423-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF TRPV1, HCN4, TRPA1 TSHR 3613/4885MAOA 2896/4885MAOB 1125/4885
US-11028075-B2 Therapeutic compounds and methods of use thereof TRPV1, HCN4, TRPA1 TSHR 3613/4885MAOA 2896/4885MAOB 1125/4885

“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.