SCHEMBL9928719

SCHEMBL9928719

C(#Cc1ccc(-c2ccccc2)cc1)c1ccncc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.61
▸ CYP1A1 P04798 1/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ CYP1B1 Q16678 1/20 0.56
▸ KCNH2 Q12809 1/20 0.50
▸ APP P05067 1/20 0.48
▸ GRM5 P41594 4/20 0.47
▸ FFAR1 O14842 1/20 0.46
▸ PIK3CD O00329 1/20 0.44
▸ PIK3CA P42336 1/20 0.44
▸ MTOR P42345 1/20 0.44
▸ PIK3CG P48736 1/20 0.44
▸ PDK1 Q15118 1/20 0.44
▸ MAPT P10636 3/20 0.43
▸ LMNA P02545 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 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
SCHEMBL9610050 0.95 APP (0.55) NOTUMCYP1A1CYP1A2CYP1B1KCNH2
SCHEMBL13900784 0.91 NOTUM (0.61) NOTUMCYP1A1CYP1A2CYP1B1KCNH2
SCHEMBL9610040 0.91 MAPT (0.53) NOTUMCYP1A1CYP1A2CYP1B1APP
SCHEMBL13219274 0.88 MAPT (0.58) NOTUMCYP1A1CYP1A2CYP1B1GRM5
SCHEMBL17224548 0.88 APP (0.63) NOTUMAPPGRM5FFAR1PIK3CD
SCHEMBL30718530 0.85 MAPT (0.61) NOTUMCYP1A1CYP1A2CYP1B1APP
SCHEMBL2925968 0.85 APP (0.67) NOTUMCYP1A2APPGRM5FFAR1
SCHEMBL7261719 0.84 MAPT (0.46) NOTUMCYP1A1CYP1A2CYP1B1GRM5
SCHEMBL4324850 0.84 ASIC3 (0.53) NOTUMKCNH2APPGRM5PIK3CD
SCHEMBL5886608 0.83 APP (0.71) CYP1A1CYP1A2CYP1B1KCNH2APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140194605-A1 SERS Reporter Molecules and Methods CABOT SECURITY MATERIALS, INC. (US) 2014-07-10 — — US disclosed
US-20120156491-A1 SERS Reporter Molecules and Methods CABOT SECURITY MATERIALS INC. (US) 2012-06-21 — — US disclosed
US-20120156491-A1 SERS Reporter Molecules and Methods CABOT SECURITY MATERIALS INC. (US) 2012-06-21 — — 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-20140194605-A1 SERS Reporter Molecules and Methods SRRT, MYCBP, SPR NOTUM 4040/4885CYP1A1 839/4885CYP1A2 1660/4885
US-20120156491-A1 SERS Reporter Molecules and Methods SRRT, MYCBP, SPR NOTUM 4040/4885CYP1A1 839/4885CYP1A2 1660/4885

“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.

Send feedback