SCHEMBL23134330

SCHEMBL23134330

CCNc1cccc(CN(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.51
NOS2 P35228 2/20 0.51
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47
KDM1A O60341 1/20 0.41
RCOR1 Q9UKL0 1/20 0.41
HTR7 P34969 1/20 0.41
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
ACP1 P24666 2/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
HPGD P15428 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA9 Q16790 1/20 0.39
TAAR1 Q96RJ0 2/20 0.38
HRH3 Q9Y5N1 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
SCHEMBL27705880 0.83 TLR8 (0.50) NOS1NOS2ALDH1A1TSHRKDM1A
SCHEMBL6175219 0.81 TSHR (0.50) NOS1NOS2ALDH1A1TSHRKDM1A
SCHEMBL5144284 0.80 RAPGEF4 (0.53) ALDH1A1THRATHRBHPGDMAPT
SCHEMBL15034736 0.80 ALDH1A1 (0.45) NOS1NOS2ALDH1A1TSHRKDM1A
SCHEMBL30704883 0.79 NOS1 (0.49) NOS1NOS2ALDH1A1TSHRKDM1A
SCHEMBL4200353 0.79 NOS1 (0.49) NOS1NOS2ALDH1A1TSHRKDM1A
SCHEMBL374504 0.78 EGFR (0.64) NOS1NOS2ALDH1A1TSHRCYP1A2
SCHEMBL7258875 0.78 ALDH1A1 (0.47) NOS1NOS2ALDH1A1TSHRKDM1A
SCHEMBL3363357 0.77 MAPT (0.50) ALDH1A1TSHRTHRATHRBHPGD
SCHEMBL989636 0.77 ALDH1A1 (0.67) NOS1ALDH1A1TSHRHTR7CHRNB2

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-20210087184-A1 AMINO-BENZOISOTHIAZOLE AND AMINO-BENZOISOTHIADIAZOLE AMIDE COMPOUNDS ALCON INC. (CH) 2021-03-25 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-20210087184-A1 AMINO-BENZOISOTHIAZOLE AND AMINO-BENZOISOTHIADIAZOLE AMIDE COMPOUNDS ATM, MAP3K15, MAP3K3 NOS1 272/4885NOS2 267/4885ALDH1A1 3004/4885

“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.