SCHEMBL18985992

SCHEMBL18985992

Nc1ccc(-c2ccsc2Cl)cc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
KCNH2 Q12809 2/20 0.47
CYP2A6 P11509 1/20 0.43
CYP3A4 P08684 6/20 0.40
TSHR P16473 4/20 0.40
ALDH1A1 P00352 3/20 0.40
ALOX15 P16050 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 1/20 0.38
CYP17A1 P05093 2/20 0.34
CYP19A1 P11511 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
ESR2 Q92731 1/20 0.32
RORB Q92753 1/20 0.32
EIF4E P06730 1/20 0.32
TP53 P04637 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL3128389 0.84 CYP3A4 (0.53) MEN1KMT2AKCNH2CYP2A6CYP3A4
SCHEMBL4089046 0.76 CYP2A6 (0.50) MEN1CYP2A6CYP3A4TSHRALDH1A1
SCHEMBL2480042 0.73 CYP3A4 (0.36) TDP1CYP2A6CYP3A4TSHRALDH1A1
SCHEMBL547061 0.73 CYP2A6 (0.50) MEN1KMT2ACYP2A6ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL7455471 0.72 CYP3A4 (0.35) TDP1MEN1KMT2ACYP2A6CYP3A4
SCHEMBL547502 0.69 CYP2A6 (0.47) MEN1KMT2ACYP2A6CYP3A4ALDH1A1
SCHEMBL8649337 0.69 CYP2A6 (0.60) CYP2A6ALDH1A1MAPK1CYP17A1RORB
SCHEMBL23855 0.68 TDP1 (1.00) TDP1MEN1KMT2AKCNH2CYP3A4
SCHEMBL29349835 0.68 TDP1 (1.00) TDP1MEN1KMT2AKCNH2CYP3A4
SCHEMBL6068090 0.68 CYP2A6 (0.50) CYP2A6CYP3A4SMN1; SMN2MAPK1CYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3390387-B1 HETEROARYLBENZIMIDAZOLE COMPOUNDS Bayer Pharma AG (DE) 2021-11-17 EP disclosed
US-10894784-B2 Heteroarylbenzimidazole compounds BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-01-19 US disclosed
US-10894784-B2 Heteroarylbenzimidazole compounds BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-01-19 US disclosed
US-20190047980-A1 HETEROARYLBENZIMIDAZOLE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-02-14 US disclosed
US-20190047980-A1 HETEROARYLBENZIMIDAZOLE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-02-14 US disclosed
EP-3390387-A1 HETEROARYLBENZIMIDAZOLE COMPOUNDS Bayer Pharma Aktiengesellschaft (DE) 2018-10-24 EP disclosed
WO-2017102091-A1 HETEROARYLBENZIMIDAZOLE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-22 WO disclosed
WO-2017102091-A1 HETEROARYLBENZIMIDAZOLE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-22 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 (2 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-20190047980-A1 HETEROARYLBENZIMIDAZOLE COMPOUNDS CCNI, CCNT2, CDK2 TDP1 1833/4885MEN1 1007/4885KMT2A 1401/4885
US-10894784-B2 Heteroarylbenzimidazole compounds CCNI, CCNT2, CDK2 TDP1 1833/4885MEN1 1007/4885KMT2A 1401/4885

“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.