SCHEMBL11869892

SCHEMBL11869892

COc1ccccc1SCC(=O)NN

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.55
MTNR1B P49286 1/20 0.55
CTSD P07339 1/20 0.53
ALDH1A1 P00352 5/20 0.50
MAPT P10636 5/20 0.50
LMNA P02545 2/20 0.50
HPGD P15428 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KDM4E B2RXH2 3/20 0.47
GAA P10253 2/20 0.47
HSD17B10 Q99714 2/20 0.47
HTT P42858 1/20 0.45
POLB P06746 2/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL806075 0.80 MTNR1A (0.60) MTNR1AMTNR1BALDH1A1MAPTLMNA
SCHEMBL7419329 0.80 MTNR1A (0.56) MTNR1AMTNR1BALDH1A1LMNASMN1; SMN2
SCHEMBL11869476 0.80 KMT2A (0.52) ALDH1A1MAPTLMNASMN1; SMN2KDM4E
SCHEMBL11867992 0.79 NOTUM (0.56) ALDH1A1MAPTLMNAHPGDSMN1; SMN2
SCHEMBL7417947 0.79 MTNR1A (0.55) MTNR1AMTNR1BCTSDALDH1A1MAPT
SCHEMBL15562974 0.78 MAPT (0.55) ALDH1A1MAPTLMNAHPGDSMN1; SMN2
SCHEMBL11864053 0.78 ALDH1A1 (0.51) ALDH1A1MAPTHPGDSMN1; SMN2NPC1
SCHEMBL15562971 0.77 ALDH1A1 (0.54) ALDH1A1MAPTHPGDSMN1; SMN2NPC1
SCHEMBL15562863 0.76 POLB (0.58) ALDH1A1MAPTLMNAHPGDSMN1; SMN2
SCHEMBL11868155 0.76 ALDH1A1 (0.52) ALDH1A1MAPTHPGDSMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150237857-A1 ANTIBACTERIAL INHIBITORS MCMASTER UNIVERSITY (CA) 2015-08-27 US claimed
EP-2882430-A1 ANTIBACTERIAL INHIBITORS McMaster University (CA) 2015-06-17 EP claimed
WO-2014022923-A1 ANTIBACTERIAL INHIBITORS MCMASTER UNIVERSITY (CA) 2014-02-13 WO claimed
US-20150237857-A1 ANTIBACTERIAL INHIBITORS MCMASTER UNIVERSITY (CA) 2015-08-27 US disclosed
US-20150237857-A1 ANTIBACTERIAL INHIBITORS MCMASTER UNIVERSITY (CA) 2015-08-27 US disclosed
US-20150237857-A1 ANTIBACTERIAL INHIBITORS MCMASTER UNIVERSITY (CA) 2015-08-27 US disclosed
EP-2882430-A1 ANTIBACTERIAL INHIBITORS McMaster University (CA) 2015-06-17 EP disclosed
WO-2014022923-A1 ANTIBACTERIAL INHIBITORS MCMASTER UNIVERSITY (CA) 2014-02-13 WO disclosed
WO-2014022923-A1 ANTIBACTERIAL INHIBITORS MCMASTER UNIVERSITY (CA) 2014-02-13 WO disclosed
US-3972905-A FUNGICIDE BAYER AKTIENGESELLSCHAFT (DT) 1976-08-03 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-20150237857-A1 ANTIBACTERIAL INHIBITORS MRPL21, Q6ZSR9, SPOUT1 MTNR1A 4487/4885MTNR1B 4499/4885CTSD 1588/4885

“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.