SCHEMBL6944526

SCHEMBL6944526

Cc1cc(Cl)c(Cl)cc1N

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.62
CYP3A4 P08684 6/20 0.55
TSHR P16473 4/20 0.55
MAPK1 P28482 1/20 0.55
GAA P10253 2/20 0.53
ALDH1A1 P00352 5/20 0.44
CYP1A2 P05177 1/20 0.44
ALOX15 P16050 1/20 0.44
CASP7 P55210 1/20 0.44
HIF1A Q16665 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TERT O14746 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
CASP1 P29466 1/20 0.42
UHRF1 Q96T88 1/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
ATAD2 Q6PL18 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
SCHEMBL9634914 0.86 CD44 (0.75) CD44CYP3A4TSHRMAPK1GAA
SCHEMBL29683620 0.86 GAA (0.67) CD44CYP3A4TSHRMAPK1GAA
SCHEMBL434710 0.86 GAA (0.58) CD44CYP3A4TSHRMAPK1GAA
SCHEMBL203360 0.86 CD44 (0.75) CD44CYP3A4TSHRMAPK1GAA
SCHEMBL2026149 0.86 GAA (0.67) CD44CYP3A4TSHRMAPK1GAA
SCHEMBL29739478 0.86 CD44 (0.75) CD44CYP3A4TSHRMAPK1GAA
Hydrochloric Acid SCHEMBL8647129 0.83 CD44 (0.64) CD44CYP3A4TSHRMAPK1GAA
Hydrochloric Acid SCHEMBL8647124 0.83 CD44 (0.64) CD44CYP3A4TSHRMAPK1GAA
SCHEMBL10524409 0.83 CD44 (0.56) CD44CYP3A4TSHRMAPK1GAA
SCHEMBL1770635 0.81 CD44 (0.54) CD44CYP3A4TSHRMAPK1GAA

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 69 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373940-A1 CARBOXYLIC DIARYLTHIAZEPINEAMINES AND USES THEREOF KURES, INC. 2023-11-23 US disclosed
US-20230373940-A1 CARBOXYLIC DIARYLTHIAZEPINEAMINES AND USES THEREOF KURES, INC. 2023-11-23 US disclosed
US-11787772-B2 Carboxylic diarythiazepineamines as mixed mu- and delta-opioid receptor agonists THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-10-17 US disclosed
US-20230242548-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-08-03 US disclosed
WO-2021053158-A1 NOVEL HISTONE METHYLTRANSFERASE INHIBITORS ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2021-03-25 WO disclosed
US-9655965-B2 Radiosensitizer compounds for use in combination with radiation Lu qing-bin (CA) 2017-05-23 US disclosed
EP-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 EP disclosed
EP-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 EP disclosed
EP-2855453-B1 BENZIMIDAZOLE-PROLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2016-12-07 EP disclosed
US-20160235743-A1 NON-PLATINUM-BASED ANTI-CANCER COMPOUNDS FOR USE IN TARGETED CHEMOTHERAPY Lu qing-bin (CA) 2016-08-18 US disclosed
US-4193937-A DECHLORINATION OF CHLOROANILINES, SELECTIVE HYDROGENATION CATALYSTS OF NOBLE METAL AND SULFUR BAYER AKTIENGESELLSCHAFT (DE) 1980-03-18 US disclosed
US-4141718-A ANTIGROWTH AGENTS FOR PLANTS CIBA-GEIGY CORPORATION (US) 1979-02-27 US disclosed
US-4139530-A CATIONIC DYES BAYER AKTIENGESELLSCHAFT (DE) 1979-02-13 US disclosed
EP-0000050-A1 Derivatives of 4-(2-chloro-4-nitrophenoxy)-phenoxyalkanecarboxylic acids, method for their preparation and their use as herbicides. BAYER AG (DE) 1978-12-20 EP disclosed
US-4101575-A FUNGICIDES, BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1978-07-18 US disclosed
US-4085268-A Disubstituted s-triazines ARMSTRONG CORK COMPANY (US) 1978-04-18 US disclosed
US-4055559-A ACETYLACETANILIDO CIBA-GEIGY CORPORATION (US) 1977-10-25 US disclosed
US-4036850-A FUNGICIDES, HERBICIDES, BACTERICIDES BAYER AKTIENGESELLSCHAFT (DT) 1977-07-19 US disclosed
US-3975534-A Pharmaceutical compositions useful for treating tick infestation in animals which contain 2-aryliminopyrrolidines or their salts as the active agent BAYER AKTIENGESELLSCHAFT (DT) 1976-08-17 US disclosed
US-3934019-A FUNGICIDE, INSECTICIDE, MITICIDE BAYER AKTIENGESELLSCHAFT (DT) 1976-01-20 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-11787772-B2 Carboxylic diarythiazepineamines as mixed mu- and delta-opioid receptor agonists OPRD1, OPRM1, OPRK1 CD44 3296/4885CYP3A4 500/4885TSHR 510/4885
US-20230373940-A1 CARBOXYLIC DIARYLTHIAZEPINEAMINES AND USES THEREOF CDKL5, KMT5A, CDKL1 CD44 3730/4885CYP3A4 2371/4885TSHR 4254/4885
US-20160235743-A1 NON-PLATINUM-BASED ANTI-CANCER COMPOUNDS FOR USE IN TARGETED CHEMOTHERAPY TOP2B, POLR2B, RB1 CD44 1728/4885CYP3A4 2840/4885TSHR 1025/4885
US-20230242548-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS CD44 68/4885CYP3A4 4840/4885TSHR 4752/4885

“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.