SCHEMBL7800341

SCHEMBL7800341

Cc1cccc(C)c1NC(=O)CN(C)CCN(C)CC(O)Cc1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.48
MEN1 O00255 6/20 0.48
POLB P06746 2/20 0.47
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
GAA P10253 2/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
MC4R P32245 1/20 0.43
SCN4A P35499 1/20 0.43
MC3R P41968 1/20 0.43
HTR3A P46098 1/20 0.43
SCN5A Q14524 1/20 0.43
SCN9A Q15858 1/20 0.43
SCN3A Q9NY46 1/20 0.43
HIF1A Q16665 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
SCHEMBL7119694 0.84 MEN1 (0.53) KMT2AMEN1RAB9ASMN1; SMN2GAA
SCHEMBL7966390 0.81 CYP1A2 (0.42) HIF1ATDP1MMP9
SCHEMBL7114559 0.80 TDP1 (0.49) KMT2AMEN1RAB9ASMN1; SMN2GAA
SCHEMBL7117219 0.74 CYP3A4 (0.58) KMT2AMEN1SMN1; SMN2GAAHTT
SCHEMBL6281664 0.73 CYP3A4 (0.59) KMT2AMEN1POLBLMNAALDH1A1
SCHEMBL7119899 0.72 RXFP1 (0.46) KMT2AMEN1POLBRAB9ASMN1; SMN2
SCHEMBL21264291 0.71 LMNA (0.65) KMT2AMEN1RAB9ASMN1; SMN2GAA
SCHEMBL7116236 0.69 MAPT (0.51) KMT2AMEN1POLBRAB9ASMN1; SMN2
SCHEMBL7800335 0.69 MEN1 (0.47) KMT2AMEN1RAB9ASMN1; SMN2GAA
SCHEMBL11674236 0.69 LMNA (0.61) KMT2AMEN1RAB9ASMN1; SMN2GAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010036961-A1 Substituted alkylene diamine compounds CV THERAPEUTICS, INC. 2001-11-01 US claimed
US-20010036961-A1 Substituted alkylene diamine compounds CV THERAPEUTICS, INC. 2001-11-01 US disclosed
WO-2001062711-A2 SUBSTITUTED ALKYLENE DIAMINE COMPOUNDS CV THERAPEUTICS, INC. (US) 2001-08-30 WO 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-20010036961-A1 Substituted alkylene diamine compounds TNNC1, CPT1B, TNNI3 KMT2A 3714/4885MEN1 3239/4885POLB 971/4885

“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.