SCHEMBL3549447

SCHEMBL3549447

CC1(C)NCCN(CCC(=O)O)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 2/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CACNA1H O95180 1/20 0.36
APEX1 P27695 2/20 0.36
TSHR P16473 2/20 0.36
ALOX15 P16050 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
S1PR1 P21453 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GLA P06280 1/20 0.33
CACNA1B Q00975 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32

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
SCHEMBL3553474 0.83 KMT2A (0.47) KMT2AALDH1A1KDM4EPOLBTDP1
SCHEMBL3546635 0.81 CACNA1H (0.39) KMT2AALDH1A1KDM4EMEN1POLB
SCHEMBL3548171 0.75 TSHR (0.43) KMT2AKDM4EMEN1POLBMAPT
SCHEMBL3546210 0.75 CACNA1H (0.37) ALDH1A1KDM4EMAPTCACNA1HOPRM1
SCHEMBL6070489 0.73 KMT2A (0.44) KMT2AALDH1A1PKMKDM4EMEN1
SCHEMBL3551597 0.72 CACNA1B (0.36) KMT2AALDH1A1KDM4EMEN1L3MBTL1
SCHEMBL3553015 0.72 POLB (0.40) KMT2AMEN1POLBCACNA1HCACNA1B
SCHEMBL3541852 0.72 ACE (0.39) KMT2AMEN1CACNA1HCACNA1BPDE4A
SCHEMBL3545618 0.72 TSHR (0.43) ALDH1A1KDM4EPOLBCACNA1HTSHR
SCHEMBL3547090 0.72 CACNA1H (0.36) KMT2AALDH1A1CACNA1HCACNA1BOPRM1

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-7741479-B2 Urea inhibitors of MAP kinases LOCUS PHARMACEUTICALS, INC. (US) 2010-06-22 US disclosed
EP-1828169-A2 UREA INHIBITORS OF MAP KINASES Locus Pharmaceuticals, Inc. (US) 2007-09-05 EP disclosed
US-20060167247-A1 Urea inhibitors of MAP kinases LOCUS PHARMACEUTICALS, INC. 2006-07-27 US disclosed
WO-2006062982-A2 UREA INHIBITORS OF MAP KINASES LOCUS PHARMACEUTICALS, INC. (US) 2006-06-15 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-20060167247-A1 Urea inhibitors of MAP kinases MAPK1, MAP3K1, MAP3K20 KMT2A 2250/4885ALDH1A1 2027/4885PKM 477/4885

“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.