SCHEMBL3242373

SCHEMBL3242373

[CH2]c1ccc(CNCc2cccc3ccccc23)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC5R P33032 2/20 0.67
MAPK1 P28482 1/20 0.67
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
MC1R Q01726 1/20 0.53
HPGD P15428 1/20 0.49
CA2 P00918 2/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA4 P22748 1/20 0.48
CA9 Q16790 1/20 0.48
SMPD1 P17405 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2D6 P10635 1/20 0.43
HSD17B10 Q99714 1/20 0.43
DNM1 Q05193 1/20 0.43
ALDH1A1 P00352 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
SCHEMBL30482193 0.86 MC5R (0.70) MC5RMAPK1MEN1KMT2AMC1R
SCHEMBL2865597 0.86 MC5R (0.70) MC5RMAPK1MEN1KMT2AMC1R
SCHEMBL6008064 0.84 MC5R (0.70) MC5RMAPK1MEN1KMT2AMC1R
SCHEMBL15130991 0.83 MC5R (0.67) MC5RMAPK1MEN1KMT2AMC1R
SCHEMBL21296202 0.83 MC5R (0.67) MC5RMAPK1MEN1KMT2AMC1R
SCHEMBL15131007 0.83 MAPK1 (0.67) MC5RMAPK1MEN1KMT2AMC1R
Hydrochloric Acid SCHEMBL31146828 0.82 MC5R (0.65) MC5RMAPK1MEN1KMT2AMC1R
SCHEMBL15131259 0.80 MEN1 (0.76) MC5RMAPK1MEN1KMT2ASMPD1
SCHEMBL30029284 0.80 MC5R (0.61) MC5RMAPK1MEN1KMT2AMC1R
SCHEMBL9080754 0.80 MC5R (0.66) MC5RMAPK1MEN1KMT2AMC1R

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-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 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-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives CFTR, PKD1, PKD2 MC5R 2870/4885MAPK1 4285/4885MEN1 2895/4885

“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.