SCHEMBL10078878

SCHEMBL10078878

CC(C)(C)c1csc(NC(=O)CCc2ccccc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 1.00
MEN1 O00255 4/20 1.00
ALDH1A1 P00352 6/20 0.61
RAB9A P51151 5/20 0.61
POLB P06746 4/20 0.61
NPC1 O15118 4/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
MAPK1 P28482 2/20 0.61
LMNA P02545 3/20 0.59
MAPT P10636 1/20 0.59
RECQL P46063 1/20 0.59
KDM4E B2RXH2 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
HPGD P15428 4/20 0.54
HSD17B10 Q99714 3/20 0.53
TSHR P16473 2/20 0.53

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
SCHEMBL77486 0.93 KMT2A (0.86) KMT2AMEN1ALDH1A1RAB9APOLB
SCHEMBL77834 0.87 KMT2A (0.77) KMT2AMEN1ALDH1A1RAB9APOLB
SCHEMBL77064 0.82 KMT2A (0.70) KMT2AMEN1ALDH1A1RAB9APOLB
SCHEMBL10078950 0.81 KMT2A (0.69) KMT2AMEN1ALDH1A1RAB9APOLB
SCHEMBL10078920 0.81 KMT2A (0.69) KMT2AMEN1ALDH1A1RAB9APOLB
SCHEMBL77089 0.81 KMT2A (0.67) KMT2AMEN1ALDH1A1RAB9APOLB
SCHEMBL10084284 0.81 MEN1 (0.67) KMT2AMEN1ALDH1A1RAB9APOLB
SCHEMBL77442 0.80 KMT2A (0.68) KMT2AMEN1ALDH1A1RAB9APOLB
SCHEMBL10078938 0.79 KMT2A (0.65) KMT2AMEN1ALDH1A1RAB9APOLB
SCHEMBL77628 0.78 ALDH1A1 (0.64) KMT2AMEN1ALDH1A1RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119645-B2 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2012-02-21 US disclosed
US-20090291969-A1 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2009-11-26 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-20090291969-A1 Fungicide hydroximoyl-tetrazole derivatives HAAO, HAO1, CYP51A1 KMT2A 663/4885MEN1 938/4885ALDH1A1 1541/4885

“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.