SCHEMBL17779151

SCHEMBL17779151

COc1cccc(NC(C)=S)c1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.64
MEN1 O00255 1/20 0.64
MAPT P10636 1/20 0.64
IDO1 P14902 1/20 0.64
TP53 P04637 2/20 0.58
TSHR P16473 1/20 0.58
RXFP1 Q9HBX9 1/20 0.58
POLB P06746 1/20 0.57
RAB9A P51151 3/20 0.57
NPC1 O15118 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
NLRP3 Q96P20 1/20 0.57
ALDH1A1 P00352 1/20 0.57
PKM P14618 1/20 0.57
HPGD P15428 1/20 0.56
SIGMAR1 Q99720 1/20 0.55
MTNR1A P48039 1/20 0.55
MTNR1B P49286 1/20 0.55

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
SCHEMBL29838502 0.87 KMT2A (0.62) KMT2AMEN1MAPTIDO1TP53
SCHEMBL73372 0.87 KMT2A (0.62) KMT2AMEN1MAPTIDO1TP53
SCHEMBL3822948 0.87 MAPT (0.81) KMT2AMEN1MAPTIDO1RXFP1
SCHEMBL30557433 0.87 MAPT (0.81) KMT2AMEN1MAPTIDO1RXFP1
SCHEMBL12585057 0.82 MAPT (0.69) KMT2AMEN1MAPTIDO1RXFP1
SCHEMBL13323864 0.82 TAS2R38 (0.60) KMT2AMEN1MAPTPOLBRAB9A
SCHEMBL171425 0.81 MTNR1A (0.79) KMT2AMEN1MAPTTP53TSHR
SCHEMBL29875454 0.81 MTNR1A (0.79) KMT2AMEN1MAPTTP53TSHR
SCHEMBL23220318 0.81 IDO1 (0.68) KMT2AMEN1MAPTIDO1RXFP1
SCHEMBL6577711 0.80 RAB9A (0.69) KMT2AMEN1MAPTIDO1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114956933-A Marker containing isotope oxygen atom and preparation method and application thereof 清华大学 2022-08-30 CN disclosed
US-9624211-B2 Anti-cancer compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-04-18 US disclosed
US-20160145250-A1 ANTI-CANCER COMPOUNDS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-05-26 US disclosed
CN-1890248-A Novel compounds ASTRAZENECA AB (SE) 2007-01-03 CN 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-20160145250-A1 ANTI-CANCER COMPOUNDS SKP2, TP53, TEAD2 KMT2A 464/4885MEN1 3204/4885MAPT 3398/4885

“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.