SCHEMBL21366050

SCHEMBL21366050

O=C(c1nc(-c2ccccn2)cs1)c1c[nH]c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
AHR P35869 3/20 0.58
NR1I2 O75469 1/20 0.58
GPR84 Q9NQS5 1/20 0.51
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 3/20 0.45
KDM4E B2RXH2 2/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4A O75164 1/20 0.43
KDM4B O94953 1/20 0.43
ADORA3 P0DMS8 1/20 0.43

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
SCHEMBL21366245 0.87 MAPT (0.56) MAPTMEN1KMT2AAHRNR1I2
SCHEMBL21366458 0.85 MEN1 (0.62) MAPTMEN1KMT2AAHRNR1I2
SCHEMBL21366075 0.85 MAPT (0.58) MAPTMEN1KMT2AAHRNR1I2
SCHEMBL21366326 0.85 MAPT (0.58) MAPTMEN1KMT2AAHRNR1I2
SCHEMBL17537657 0.84 KMT2A (0.63) MAPTMEN1KMT2AAHRNR1I2
SCHEMBL22644103 0.83 MAPT (0.56) MAPTMEN1KMT2AAHRNR1I2
SCHEMBL21366105 0.82 MAPT (0.55) MAPTMEN1KMT2AAHRNR1I2
SCHEMBL22644116 0.81 MAPT (0.54) MAPTMEN1KMT2AAHRNR1I2
SCHEMBL21366246 0.80 MAPT (0.58) MAPTMEN1KMT2AAHRNR1I2
SCHEMBL21547896 0.79 KMT2A (0.70) MAPTMEN1KMT2AAHRNR1I2

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
EP-3564239-B9 ARYL HYDROCARBON RECEPTOR MODULATOR ARIAGEN INC (US) 2023-04-19 EP disclosed
US-11547698-B2 Aryl hydrocarbon receptor modulators ARIAGEN, INC. (US) 2023-01-10 US disclosed
EP-3564239-A1 ARYL HYDROCARBON RECEPTOR MODULATOR Shenzhen Immunova Pharmaceutical Co., Ltd. (CN) 2019-11-06 EP disclosed
US-20190330201-A1 ARYL HYDROCARBON RECEPTOR MODULATORS AHR PHARMACEUTICALS, INC. 2019-10-31 US disclosed
US-20190307731-A1 ARYL HYDROCARBON RECEPTOR MODULATOR ARIAGEN, INC. (US) 2019-10-10 US disclosed
US-20190284149-A1 ARYL HYDROCARBON RECEPTOR MODULATOR ARIAGEN, INC. (US) 2019-09-19 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-20190307731-A1 ARYL HYDROCARBON RECEPTOR MODULATOR AHR, ARNT, NR1H4 MAPT 4875/4885MEN1 4131/4885KMT2A 1490/4885
US-11547698-B2 Aryl hydrocarbon receptor modulators AHR, ARNT, CNR1 MAPT 4838/4885MEN1 4176/4885KMT2A 1471/4885
US-20190284149-A1 ARYL HYDROCARBON RECEPTOR MODULATOR AHR, ARNT, NR1H4 MAPT 4863/4885MEN1 4131/4885KMT2A 1445/4885
US-20190330201-A1 ARYL HYDROCARBON RECEPTOR MODULATORS AHR, ARNT, CNR1 MAPT 4838/4885MEN1 4176/4885KMT2A 1471/4885

“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.