SCHEMBL6359174

SCHEMBL6359174

CCC(C)[C@H](NC(=O)C1(Oc2ccc(CC(=O)Nc3cc(C)cc(C)c3)cc2)CCCC1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ATM Q13315 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
CTSK P43235 3/20 0.38
ALOX15 P16050 1/20 0.37
FPR2 P25090 2/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.36
RORC P51449 1/20 0.36

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
SCHEMBL6359176 1.00 MEN1 (0.41) MEN1KMT2AATMCYP2C9CYP2C19
SCHEMBL6356994 0.93 THRA (0.39) MEN1KMT2ASMN1; SMN2CTSKALDH1A1
SCHEMBL6356523 0.93 THRA (0.39) MEN1KMT2ASMN1; SMN2CTSKALDH1A1
SCHEMBL7657951 0.92 ALDH1A1 (0.38) MEN1KMT2ASMN1; SMN2CTSKALDH1A1
SCHEMBL6362116 0.92 ALDH1A1 (0.38) MEN1KMT2ASMN1; SMN2CTSKALDH1A1
SCHEMBL6359207 0.89 ALDH1A1 (0.39) MEN1KMT2ASMN1; SMN2CTSKALDH1A1
SCHEMBL6362871 0.89 ALDH1A1 (0.39) MEN1KMT2ASMN1; SMN2CTSKALDH1A1
SCHEMBL6355462 0.85 ALDH1A1 (0.43) MEN1KMT2AATMMAPK1CTSK
SCHEMBL6353468 0.85 ALDH1A1 (0.43) MEN1KMT2AATMMAPK1CTSK
SCHEMBL6357946 0.85 ALDH1A1 (0.38) MEN1KMT2ASMN1; SMN2CTSKALDH1A1

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-20050154062-A1 Substituted chiral allosteric hemoglobin modifiers ALLOS THERAPEUTICS, INC. 2005-07-14 US disclosed
US-6894185-B2 Substituted chiral allosteric hemoglobin modifiers Allós Therapeutics, Inc. (US) 2005-05-17 US disclosed
US-6486342-B1 Substituted chiral allosteric hemoglobin modifiers VIRGINIA COMMONWEALTH UNIVERSITY 2002-11-26 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-20050154062-A1 Substituted chiral allosteric hemoglobin modifiers HBZ, HBB, HBG2 MEN1 4867/4885KMT2A 1425/4885ATM 4105/4885

“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.