SCHEMBL4243880

SCHEMBL4243880

Cc1ccc(C)n1-c1ccc([C@@H](O)CN(Cc2ccccc2)C(=O)CCl)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.36
NPC1 O15118 6/20 0.36
KMT2A Q03164 6/20 0.36
MEN1 O00255 5/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 7/20 0.36
HTT P42858 5/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
LMNA P02545 4/20 0.36
NPSR1 Q6W5P4 4/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
TP53 P04637 1/20 0.36
PAX8 Q06710 2/20 0.36
GLA P06280 1/20 0.36
RORC P51449 1/20 0.36
JAK2 O60674 1/20 0.35
KDM4E B2RXH2 2/20 0.35
PLIN1 O60240 1/20 0.34
GSTO1 P78417 1/20 0.34

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
SCHEMBL4243883 1.00 RAB9A (0.36) RAB9ANPC1KMT2AMEN1TDP1
SCHEMBL2294891 0.74 TDP1 (0.46) RAB9ANPC1KMT2AMEN1TDP1
SCHEMBL27711319 0.74 MEN1 (0.46) RAB9ANPC1KMT2AMEN1TDP1
SCHEMBL2291932 0.74 MEN1 (0.46) RAB9ANPC1KMT2AMEN1TDP1
SCHEMBL2296124 0.74 TDP1 (0.46) RAB9ANPC1KMT2AMEN1TDP1
SCHEMBL25181454 0.74 TDP1 (0.46) RAB9ANPC1KMT2AMEN1TDP1
SCHEMBL2294032 0.74 MEN1 (0.46) RAB9ANPC1KMT2AMEN1TDP1
SCHEMBL22533708 0.73 KDM4E (0.44) KMT2AMEN1TDP1ALDH1A1HTT
SCHEMBL4670521 0.73 KDM4E (0.44) KMT2AMEN1TDP1ALDH1A1HTT
SCHEMBL22534009 0.73 KDM4E (0.34) KMT2AMEN1ALDH1A1SMN1; SMN2RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090005354-A1 New Amino Derivatives and Their Use as Pharmaceuticals PFIZER, INC. (US) 2009-01-01 US disclosed
US-20090005354-A1 New Amino Derivatives and Their Use as Pharmaceuticals PFIZER, INC. (US) 2009-01-01 US disclosed
US-20090005354-A1 New Amino Derivatives and Their Use as Pharmaceuticals PFIZER, INC. (US) 2009-01-01 US disclosed
US-20050288270-A1 New aminopyridine derivatives and their use as pharmaceuticals PFIZER INC 2005-12-29 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 (2 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-20050288270-A1 New aminopyridine derivatives and their use as pharmaceuticals DRD2, DRD1, DRD3 RAB9A 1256/4885NPC1 4259/4885KMT2A 3200/4885
US-20090005354-A1 New Amino Derivatives and Their Use as Pharmaceuticals DRD2, DRD1, DRD3 RAB9A 1066/4885NPC1 3949/4885KMT2A 3197/4885

“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.