SCHEMBL13145693

SCHEMBL13145693

CNC(=O)Nc1cccc(C(C)(C)C)c1Cl

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
RECQL P46063 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
MAPK1 P28482 1/20 0.53
MAPK14 Q16539 12/20 0.48
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
GPR35 Q9HC97 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
SCHEMBL14295558 0.86 ALDH1A1 (0.53) ALDH1A1RECQLSMN1; SMN2MEN1KMT2A
SCHEMBL11763698 0.80 MEN1 (0.68) ALDH1A1RECQLSMN1; SMN2MEN1KMT2A
SCHEMBL13145684 0.78 ALDH1A1 (0.51) ALDH1A1RECQLSMN1; SMN2MAPK14POLB
SCHEMBL14401688 0.78 ALDH1A1 (0.60) ALDH1A1RECQLSMN1; SMN2MEN1KMT2A
SCHEMBL23022431 0.77 GPR35 (0.46) ALDH1A1SMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL22928093 0.77 CA2 (0.41) ALDH1A1RECQLSMN1; SMN2MEN1KMT2A
SCHEMBL24252064 0.73 CTSS (0.47) ALDH1A1MAPK14POLBPDK2
SCHEMBL3105855 0.73 CA2 (0.44) ALDH1A1MEN1KMT2AMAPK1MAPK14
SCHEMBL14003501 0.72 ALDH1A1 (1.00) ALDH1A1RECQLSMN1; SMN2MEN1KMT2A
SCHEMBL8830517 0.72 SMN1; SMN2 (0.73) ALDH1A1RECQLSMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. 2010-09-16 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-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CCR2, CCR9, CCR1 ALDH1A1 1572/4885RECQL 4832/4885SMN1; SMN2 1775/4885

“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.