SCHEMBL6910220

SCHEMBL6910220

CCn1c(=O)[nH]c2ccc(Cl)cc21

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 4/20 0.72
CYP1A2 P05177 3/20 0.66
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
LMNA P02545 2/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2D6 P10635 1/20 0.66
TSHR P16473 1/20 0.66
NFKB1 P19838 1/20 0.66
BLM P54132 1/20 0.66
PMP22 Q01453 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
DAO P14920 1/20 0.58
MAOB P27338 3/20 0.54
CBX7 O95931 1/20 0.52
CDYL2 Q8N8U2 1/20 0.52
CDYL Q9Y232 1/20 0.52
CDY1; CDY1B Q9Y6F8 1/20 0.52
HTT P42858 1/20 0.49
GRIA1 P42261 1/20 0.46

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
SCHEMBL6904508 0.87 MEN1 (0.66) PGRCYP1A2MEN1KMT2ALMNA
SCHEMBL10284498 0.84 PGR (0.64) PGRCYP1A2MEN1KMT2ALMNA
SCHEMBL11708301 0.82 DAO (0.57) PGRCYP1A2MEN1KMT2ALMNA
SCHEMBL11703773 0.81 DAO (0.59) PGRCYP1A2MEN1KMT2ALMNA
SCHEMBL318631 0.81 DAO (0.55) PGRCYP1A2MEN1KMT2ALMNA
SCHEMBL9725376 0.80 DAO (0.51) PGRCYP1A2MEN1KMT2ALMNA
SCHEMBL31481931 0.80 MAOB (0.64) PGRCYP1A2MEN1KMT2ALMNA
SCHEMBL22191016 0.80 CYP1A2 (0.60) PGRCYP1A2MEN1KMT2ALMNA
SCHEMBL6907750 0.80 MAOB (0.64) PGRCYP1A2MEN1KMT2ALMNA
SCHEMBL8950195 0.80 PGR (0.50) PGRCYP1A2MEN1KMT2ALMNA

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
US-10375962-B2 Heterocycle derivatives as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-08-13 US disclosed
US-20190021329-A1 HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-01-24 US disclosed
WO-2004039409-A2 COMPOSITION COMPRISING ACTIVATORS OF IK POTASSIUM CHANNELS AND CALCINEURIN ANTAGONISTS AND USE THEREOF SWITCH BIOTECH AG (DE) 2004-05-13 WO disclosed
US-5534521-A SEROTONIN ANTAGONISTS G. D. SEARLE & CO. (US) 1996-07-09 US disclosed
US-5521193-A SEROTONIN AGONISTS AND ANTAGONISTS G. D. SEARLE & CO. (US) 1996-05-28 US disclosed
US-5280028-A Containing ketone structure in position2 G. D. SEARLE & CO. (US) 1994-01-18 US disclosed
WO-1994000449-A1 BENZIMIDAZOLE COMPOUNDS G.D. SEARLE & CO. (US) 1994-01-06 WO disclosed
WO-1994000454-A1 BENZIMIDAZOLE COMPOUNDS G.D. SEARLE & CO. (US) 1994-01-06 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-10375962-B2 Heterocycle derivatives as pesticides DDT, ACHE, CBR1 PGR 4183/4885CYP1A2 32/4885MEN1 366/4885
US-20190021329-A1 HETEROCYCLE DERIVATIVES AS PESTICIDES DDT, ACHE, CBR1 PGR 4183/4885CYP1A2 32/4885MEN1 366/4885

“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.