SCHEMBL29970846

SCHEMBL29970846

COc1ccc2ccc(Br)c(Cl)c2n1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 11/20 0.35
MTNR1B P49286 11/20 0.35
NQO2 P16083 3/20 0.35
CYP1A2 P05177 1/20 0.35
KMT2A Q03164 1/20 0.35
PTPN11 Q06124 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
EGFR P00533 1/20 0.33
HTR2C P28335 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL23208944 1.00 MTNR1A (0.35) MTNR1AMTNR1BNQO2CYP1A2KMT2A
SCHEMBL3142042 0.79 NQO2 (0.38) MTNR1AMTNR1BNQO2CYP1A2KMT2A
SCHEMBL1712251 0.77 ERN1 (0.46) MTNR1AMTNR1BHTR2CPOLBTDP1
SCHEMBL16511925 0.77 MTNR1A (0.44) MTNR1AMTNR1BCYP1A2KMT2AHTR2C
SCHEMBL30492604 0.77 MTNR1A (0.44) MTNR1AMTNR1BCYP1A2KMT2AHTR2C
SCHEMBL15512652 0.76 HTT (0.37) NQO2CYP1A2KMT2AALDH1A1HTT
SCHEMBL14905348 0.76 EGFR (0.41) NQO2PTPN11EGFR
SCHEMBL21631626 0.76 PTPN11 (0.39) NQO2PTPN11HTTEGFR
SCHEMBL29971220 0.76 PTPN11 (0.39) NQO2PTPN11HTTEGFR
SCHEMBL1222885 0.76 BACE1 (0.53) MTNR1AMTNR1BNQO2HTTEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11466016-B2 Pharmaceutical compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2022-10-11 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 (1 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-11466016-B2 Pharmaceutical compounds MAPT, CYP3A5, SLC5A1 MTNR1A 1850/4885MTNR1B 1856/4885NQO2 328/4885

“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.