SCHEMBL15722876

SCHEMBL15722876

Cc1ccc(OCC(=O)Nc2cccc(F)c2)cc1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.74
SMN1; SMN2 Q16637 3/20 0.72
TP53 P04637 1/20 0.72
HIF1A Q16665 1/20 0.66
EPAS1 Q99814 1/20 0.66
MAPK1 P28482 2/20 0.65
HPGD P15428 3/20 0.61
FFAR1 O14842 1/20 0.61
NPC1 O15118 2/20 0.61
MAPT P10636 2/20 0.61
KDM4E B2RXH2 1/20 0.61
TSHR P16473 1/20 0.61
RAB9A P51151 1/20 0.61
MEN1 O00255 3/20 0.60
AHR P35869 1/20 0.60
ALDH1A1 P00352 3/20 0.59
P2RY14 Q15391 1/20 0.58

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
SCHEMBL13985697 0.87 MAPK1 (0.84) KMT2ASMN1; SMN2TP53HIF1AEPAS1
SCHEMBL15722393 0.86 KMT2A (0.57) KMT2ASMN1; SMN2TP53MAPK1HPGD
SCHEMBL26311676 0.85 MAPK1 (0.78) KMT2ASMN1; SMN2TP53HIF1AEPAS1
SCHEMBL12259253 0.84 P2RY14 (0.57) KMT2ASMN1; SMN2TP53MAPK1HPGD
SCHEMBL7513074 0.83 KMT2A (0.75) KMT2ASMN1; SMN2TP53HIF1AEPAS1
SCHEMBL2956553 0.83 HIF1A (0.93) KMT2ASMN1; SMN2TP53HIF1AEPAS1
SCHEMBL15506194 0.82 MAPT (0.66) KMT2ASMN1; SMN2MAPK1MAPTMEN1
SCHEMBL4299605 0.82 HIF1A (0.74) KMT2ASMN1; SMN2TP53HIF1AEPAS1
SCHEMBL21631143 0.82 HIF1A (0.74) KMT2ASMN1; SMN2TP53HIF1AEPAS1
SCHEMBL7511572 0.81 MEN1 (0.88) KMT2ASMN1; SMN2TP53MAPK1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170224703-A1 ANTIFUNGAL AGENTS AND USES THEREOF UNIVERSITY OF MASSACHUSETTS 2017-08-10 US disclosed
US-9648880-B2 Antifungal agents and uses thereof UNIVERSITY OF MASSACHUSETTS (US) 2017-05-16 US disclosed
US-20140142107-A1 ANTIFUNGAL AGENTS AND USES THEREOF UNIVERSITY OF MASSACHUSETTS (US) 2014-05-22 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 (2 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-20140142107-A1 ANTIFUNGAL AGENTS AND USES THEREOF DPM1, ERG28, SUCLG1 KMT2A 4393/4885SMN1; SMN2 4118/4885TP53 3005/4885
US-20170224703-A1 ANTIFUNGAL AGENTS AND USES THEREOF DPM1, ERG28, SUCLG1 KMT2A 4393/4885SMN1; SMN2 4118/4885TP53 3005/4885

“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.