SCHEMBL6790089

SCHEMBL6790089

CC1(C)CC(NC(=O)CC(=O)Nc2ccc(Br)cc2)CC(C)(C)N1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.55
MEN1 O00255 3/20 0.55
HTT P42858 2/20 0.51
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KDM4E B2RXH2 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.47
RECQL P46063 1/20 0.47
USP2 O75604 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL6789510 0.91 HPGD (0.51) KMT2AMEN1HTTALDH1A1SMN1; SMN2
SCHEMBL1287360 0.84 ALDH1A1 (0.51) KMT2AMEN1HTTALDH1A1SMN1; SMN2
SCHEMBL13825606 0.80 KMT2A (0.70) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL16140981 0.74 KMT2A (1.00) KMT2AMEN1HTTALDH1A1SMN1; SMN2
SCHEMBL13412657 0.73 KMT2A (0.51) KMT2AMEN1HTTALDH1A1KDM4E
SCHEMBL8336245 0.72 GAA (0.55) KMT2AMEN1HTTALDH1A1KDM4E
SCHEMBL9682135 0.72 GAA (0.58) KMT2AMEN1HTTALDH1A1KDM4E
SCHEMBL6234624 0.72 GAA (0.58) KMT2AMEN1HTTALDH1A1KDM4E
SCHEMBL2901212 0.71 GAA (0.71) KMT2AMEN1HTTALDH1A1KDM4E
SCHEMBL29196492 0.71 POLB (0.61) KMT2AMEN1HTTALDH1A1SMN1; SMN2

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-9776963-B2 Small molecule CD4 mimetics and uses thereof THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2017-10-03 US disclosed
US-20120122834-A1 SMALL MOLECULE CD4 MIMETICS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2012-05-17 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-20120122834-A1 SMALL MOLECULE CD4 MIMETICS AND USES THEREOF CD4, CCR1, RORC KMT2A 2177/4885MEN1 4455/4885HTT 2317/4885

“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.