SCHEMBL6696440

SCHEMBL6696440

Clc1cc(NCc2ccc3ccccc3c2)ccc1NCc1ccc2ccccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INSR P06213 1/20 0.56
IGF1R P08069 1/20 0.56
FFAR1 O14842 1/20 0.51
MRGPRX4 Q96LA9 2/20 0.48
MAPT P10636 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALPG P10696 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HIF1A Q16665 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HDAC8 Q9BY41 1/20 0.43
MC4R P32245 2/20 0.43
MC5R P33032 2/20 0.43
MC3R P41968 1/20 0.41

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
SCHEMBL6692765 0.92 INSR (0.49) INSRIGF1RFFAR1MRGPRX4MAPT
SCHEMBL6154500 0.88 INSR (0.59) INSRIGF1RFFAR1MRGPRX4MAPT
SCHEMBL6694209 0.87 MAPT (0.63) INSRIGF1RMAPTMEN1KMT2A
SCHEMBL20036943 0.84 INSR (0.75) INSRIGF1RFFAR1MRGPRX4CYP1A2
SCHEMBL6696002 0.82 MAPT (0.64) INSRIGF1RFFAR1MRGPRX4MAPT
SCHEMBL27527525 0.81 FFAR1 (0.60) INSRIGF1RFFAR1MRGPRX4MEN1
Hydrochloric Acid SCHEMBL6419281 0.80 FFAR1 (0.58) INSRIGF1RFFAR1MRGPRX4MEN1
SCHEMBL6694203 0.78 MRGPRX4 (0.56) IGF1RMRGPRX4MAPTMEN1KMT2A
SCHEMBL6693884 0.78 AGER (0.51) MRGPRX4MAPTMEN1KMT2AHDAC8
SCHEMBL9702743 0.78 INSR (0.67) INSRIGF1RFFAR1MRGPRX4MAPT

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-20040009973-A1 Phenylenediamine derivatives N-substituted with benzyl- or heteroarylmethyl- groups 4SC AG (DE) 2004-01-15 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-20040009973-A1 Phenylenediamine derivatives N-substituted with benzyl- or heteroarylmethyl- groups PAH, PNMT, OPRM1 INSR 898/4885IGF1R 2296/4885FFAR1 1914/4885

“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.