SCHEMBL3746953

SCHEMBL3746953

CC(NCc1ccccc1I)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 2/20 0.49
HTT P42858 2/20 0.49
CYP3A4 P08684 3/20 0.49
CASR P41180 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 2/20 0.49
CHRM2 P08172 1/20 0.49
HTR1A P08908 1/20 0.49
ADRA2A P08913 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
CHRM1 P11229 1/20 0.49
SMPD1 P17405 1/20 0.49
DRD1 P21728 1/20 0.49
TBXA2R P21731 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
ADRA1A P35348 1/20 0.49

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
SCHEMBL3746949 1.00 MEN1 (0.56) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL11266118 0.81 BCHE (0.47) LMNACYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL3678237 0.80 MEN1 (0.54) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL3678235 0.80 MEN1 (0.54) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL3679075 0.80 SMN1; SMN2 (0.57) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL3679074 0.80 SMN1; SMN2 (0.57) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL9088007 0.79 POLB (0.59) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL27535379 0.79 CASR (0.67) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL2168291 0.79 CASR (0.67) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL4074646 0.79 CASR (0.67) MEN1KMT2ASMN1; SMN2LMNAHTT

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-20100279936-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-11-04 US disclosed
CN-101516360-A Substituted acetylenic compounds useful for the treatment of diseases LEO PHARMA AS (DK) 2009-08-26 CN 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-20100279936-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES C1R, C3AR1, PTH1R MEN1 202/4885KMT2A 4121/4885SMN1; SMN2 4419/4885

“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.