SCHEMBL16680653

SCHEMBL16680653

Cc1ccc(-n2cnnc2C(N)=O)c(-c2cc(S(=O)(=O)N3CCOCC3)c(O)cc2O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 6/20 0.40
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
LMNA P02545 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.38
MAPT P10636 4/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
POLB P06746 1/20 0.37
ACHE P22303 1/20 0.37
RAB9A P51151 1/20 0.36
THRB P10828 1/20 0.36
G6PD P11413 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL501048 0.76 ALDH1A1 (0.41) MAPK1ALDH1A1MEN1KMT2ALMNA
SCHEMBL500990 0.67 SMN1; SMN2 (0.40) MAPK1ALDH1A1MEN1KMT2ALMNA
SCHEMBL16680651 0.65 SMN1; SMN2 (0.54) MAPK1ALDH1A1MEN1KMT2ALMNA
SCHEMBL22433209 0.62 ALDH1A1 (0.69) MAPK1ALDH1A1KMT2ALMNAMAPT
SCHEMBL14367365 0.61 KMT2A (0.70) KMT2ALMNAMAPTPOLBRAB9A
SCHEMBL16249234 0.61 ALDH1A1 (0.63) MAPK1ALDH1A1MEN1KMT2ALMNA
SCHEMBL1913783 0.60 ACHE (0.49) MAPK1ALDH1A1MEN1KMT2ALMNA
SCHEMBL1629001 0.60 HSP90AA1 (0.49) MAPK1ALDH1A1MEN1KMT2ALMNA
SCHEMBL15726878 0.60 ALDH1A1 (0.64) MAPK1ALDH1A1MEN1KMT2ALMNA
SCHEMBL7659574 0.59 PKM (0.61) ALDH1A1KMT2ALMNAKDM4ESMN1; SMN2

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-20150126499-A1 Triazole Compounds that Modulate HSP90 Activity SYNTA PHARMACEUTICALS CORP (US) 2015-05-07 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-20150126499-A1 Triazole Compounds that Modulate HSP90 Activity HSP90AB1, HSP90B1, HSP90AA1 MAPK1 1405/4885ALDH1A1 2145/4885MEN1 4432/4885

“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.