SCHEMBL90998

SCHEMBL90998

CCOC(=O)c1ccc(-c2ccccn2)nc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 3/20 0.50
TSHR P16473 1/20 0.47
HTT P42858 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MEN1 O00255 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 3/20 0.45
CASP1 P29466 2/20 0.45
HSD17B10 Q99714 2/20 0.45
MAPK1 P28482 1/20 0.45
ATM Q13315 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 2/20 0.45
HPGD P15428 3/20 0.44

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
SCHEMBL4131672 0.82 KDM4E (0.54) LMNAKDM4EALDH1A1TSHRCYP1A2
SCHEMBL70803 0.80 KDM4E (0.47) LMNAKDM4EALDH1A1HTTCYP1A2
SCHEMBL4132138 0.80 MDM2 (0.60) LMNAKDM4EALDH1A1HTTCYP1A2
SCHEMBL70363 0.79 LMNA (0.54) LMNAKDM4EALDH1A1HTTCYP1A2
SCHEMBL15173423 0.78 LMNA (0.51) LMNAKDM4EALDH1A1TSHRHTT
SCHEMBL7635062 0.77 TSHR (0.53) LMNAKDM4EALDH1A1TSHRHTT
SCHEMBL49913 0.77 POLB (0.66) LMNAALDH1A1TSHRHTTCYP1A2
SCHEMBL7643679 0.76 TSHR (0.59) LMNAKDM4EALDH1A1TSHRHTT
Hydrochloric Acid SCHEMBL3584951 0.76 POLB (0.64) LMNAALDH1A1TSHRHTTCYP1A2
SCHEMBL18116033 0.76 LMNA (0.51) LMNAKDM4EALDH1A1TSHRHTT

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-8299066-B2 Compounds having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-10-30 US disclosed
US-20120130070-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-05-24 US disclosed
US-8129372-B2 Compounds having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-03-06 US disclosed
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY Shinonogi & Co., Ltd (JP) 2011-02-03 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-20120130070-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R LMNA 3493/4885KDM4E 1623/4885ALDH1A1 4801/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R LMNA 3493/4885KDM4E 1623/4885ALDH1A1 4801/4885

“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.