SCHEMBL2750677

SCHEMBL2750677

CCc1ccccc1NC(=O)NC1CCCC1

nearest known ligand 0.97

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.97
SMN1; SMN2 Q16637 4/20 0.71
MEN1 O00255 1/20 0.71
HTT P42858 1/20 0.71
RAB9A P51151 4/20 0.62
NPC1 O15118 3/20 0.62
PKM P14618 2/20 0.62
KDM4E B2RXH2 3/20 0.62
ALDH1A1 P00352 1/20 0.62
EPHX1 P07099 2/20 0.59
TP53 P04637 1/20 0.59
TSHR P16473 1/20 0.57
EPHX2 P34913 1/20 0.56
TAS1R3 Q7RTX0 1/20 0.55
TAS1R1 Q7RTX1 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C19 P33261 1/20 0.55
MAPT P10636 1/20 0.54

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
SCHEMBL4693185 0.85 KMT2A (0.77) KMT2ASMN1; SMN2MEN1HTTRAB9A
SCHEMBL6439308 0.84 KMT2A (1.00) KMT2ASMN1; SMN2MEN1HTTRAB9A
SCHEMBL4687342 0.83 KMT2A (0.73) KMT2ASMN1; SMN2MEN1HTTRAB9A
SCHEMBL21504906 0.83 KMT2A (0.73) KMT2ASMN1; SMN2MEN1HTTRAB9A
SCHEMBL2751737 0.81 KMT2A (0.76) KMT2ASMN1; SMN2MEN1HTTRAB9A
SCHEMBL18658002 0.81 CCR3 (0.78) KMT2ASMN1; SMN2MEN1HTTKDM4E
SCHEMBL2751300 0.80 ALDH1A1 (0.70) KMT2ASMN1; SMN2MEN1HTTRAB9A
SCHEMBL813710 0.80 KMT2A (0.79) KMT2ASMN1; SMN2MEN1HTTRAB9A
SCHEMBL29580443 0.80 HTT (0.72) KMT2ASMN1; SMN2MEN1HTTPKM
SCHEMBL9717979 0.80 HTT (0.72) KMT2ASMN1; SMN2MEN1HTTPKM

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-8178570-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2012-05-15 US disclosed
US-20060293342-A1 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2006-12-28 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-20060293342-A1 Tie-2 modulators and methods of use TIE1, TEK, KDR KMT2A 682/4885SMN1; SMN2 3129/4885MEN1 1132/4885

“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.