SCHEMBL3309577

SCHEMBL3309577

CCn1ccc2ccc(NC(=O)c3ccc(Cl)nc3)cc21.CCn1ccc2ccc(NC(=O)c3cnccc3Cl)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
FLT1 P17948 3/20 0.45
KDR P35968 3/20 0.45
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
EPHX2 P34913 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
MAPT P10636 5/20 0.42
CSF1R P07333 2/20 0.42
KCNQ3 O43525 3/20 0.42
KCNQ2 O43526 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL2301592 0.90 MEN1 (0.55) MEN1KMT2AALDH1A1LMNARAB9A
SCHEMBL3309580 0.86 MEN1 (0.47) MEN1KMT2AALDH1A1LMNAKDR
SCHEMBL3312207 0.80 KCNQ3 (0.63) MEN1KMT2AALDH1A1LMNARAB9A
SCHEMBL3309585 0.77 ROCK2 (0.53) MEN1KMT2AALDH1A1LMNARAB9A
SCHEMBL3313660 0.76 KCNQ3 (0.55) MEN1KMT2AALDH1A1LMNARAB9A
SCHEMBL2303359 0.76 RAB9A (0.57) MEN1KMT2AALDH1A1LMNARAB9A
SCHEMBL3309149 0.75 LMNA (0.58) MEN1KMT2AALDH1A1LMNARAB9A
SCHEMBL2303066 0.72 CHRM1 (0.48) MEN1KMT2AALDH1A1LMNARAB9A
SCHEMBL2302884 0.72 EPHX2 (0.43) ALDH1A1LMNARAB9ASMN1; SMN2EPHX2
SCHEMBL2301643 0.72 KCNH2 (0.47) RAB9ASMN1; SMN2EPHX2NR1H4MAPT

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-20100113782-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2010-05-06 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-20100113782-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, MOGAT2 MEN1 3985/4885KMT2A 963/4885ALDH1A1 802/4885

“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.