SCHEMBL2993558

SCHEMBL2993558

CN(C)CCNC(=O)c1ccc(C(N)=O)cc1F

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
ACKR3 P25106 1/20 0.50
CYP1A2 P05177 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
RAD52 P43351 1/20 0.46
ALDH1A1 P00352 3/20 0.46
CHEK1 O14757 1/20 0.45
MCHR1 Q99705 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PARP1 P09874 1/20 0.43
EED O75530 1/20 0.43
MAPK1 P28482 1/20 0.43
FYN P06241 1/20 0.43
CDK2 P24941 1/20 0.43
IKBKB O14920 1/20 0.43

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
SCHEMBL2993559 0.83 HTT (0.56) HTTSMN1; SMN2ACKR3CYP1A2L3MBTL1
SCHEMBL30231342 0.83 ACKR3 (0.69) HTTSMN1; SMN2ACKR3CYP1A2L3MBTL1
SCHEMBL12121026 0.82 HTT (0.74) HTTSMN1; SMN2ACKR3CYP1A2RAD52
SCHEMBL3382746 0.81 LMNA (0.42) L3MBTL1MCHR1PARP1MAPK1
SCHEMBL2926409 0.81 CYP1A2 (0.67) HTTSMN1; SMN2ACKR3CYP1A2RAD52
SCHEMBL3001144 0.79 ALDH1A1 (0.63) HTTSMN1; SMN2ALDH1A1PARP1MAPK1
SCHEMBL13575533 0.78 HDAC1 (0.56) HTTSMN1; SMN2ALDH1A1KDM4EHSD17B10
SCHEMBL3650968 0.77 FYN (0.59) HTTSMN1; SMN2L3MBTL1ALDH1A1CHEK1
SCHEMBL4343543 0.77 RAD52 (0.62) HTTSMN1; SMN2CYP1A2RAD52ALDH1A1
SCHEMBL3934495 0.76 TMEM97 (0.65) HTTSMN1; SMN2ACKR3CYP1A2RAD52

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-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US claimed
US-20060276496-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-12-07 US claimed

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-20060276496-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 HTT 2728/4885SMN1; SMN2 3033/4885ACKR3 324/4885
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 HTT 2728/4885SMN1; SMN2 3033/4885ACKR3 324/4885

“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.