SCHEMBL19990835

SCHEMBL19990835

O=S(=O)(Cc1ccc2c(c1)NCC2)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MLNR O43193 11/20 0.51
CYP2D6 P10635 5/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 1/20 0.47
GFER P55789 1/20 0.44
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
PNMT P11086 1/20 0.40
PARP11 Q9NR21 1/20 0.39
HTR6 P50406 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL1789401 0.81 MLNR (0.74) MLNRCYP2D6HTR2CHTR2BPNMT
SCHEMBL7855779 0.79 MLNR (0.63) MLNRCYP2D6HTR2CHTR2BPNMT
SCHEMBL15812115 0.76 HTR2C (0.65) SMN1; SMN2MAPTGFERHTR2CHTR2B
SCHEMBL5871440 0.75 SMN1; SMN2 (0.51) MLNRSMN1; SMN2GFERHTR2CHTR2B
SCHEMBL15812065 0.75 PARP11 (0.59) CYP2D6SMN1; SMN2HTR2CHTR2BPARP11
SCHEMBL21573192 0.75 PARP11 (0.44) SMN1; SMN2HTR2CHTR2BPARP11
SCHEMBL13369061 0.73 SMN1; SMN2 (0.43) SMN1; SMN2MAPTGFERPARP11
SCHEMBL12608373 0.71 HRH3 (0.51) MLNRCYP2D6MAPTHTR2CHTR6
SCHEMBL9328756 0.71 KDM4E (0.45) SMN1; SMN2MAPTGFERTSHRHSD17B10
SCHEMBL12651580 0.70 MLNR (0.50) MLNRCYP2D6SMN1; SMN2MAPT

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-20180086701-A1 ENANTIOSELECTIVE SYNTHESIS OF PYRROLOINDOLE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2018-03-29 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-20180086701-A1 ENANTIOSELECTIVE SYNTHESIS OF PYRROLOINDOLE COMPOUNDS PCNA, POLR2E, POLL MLNR 4108/4885CYP2D6 258/4885SMN1; SMN2 4221/4885

“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.