SCHEMBL933100

SCHEMBL933100

C=C(OCC)c1ccc(-c2ncc3cc(C(=C)OCC)ccc3n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.40
MAOB P27338 5/20 0.40
NPC1 O15118 5/20 0.40
RAB9A P51151 4/20 0.40
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
LCK P06239 1/20 0.38
KIT P10721 1/20 0.38
SRC P12931 1/20 0.38
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 3/20 0.38
MAPK1 P28482 1/20 0.38
ATM Q13315 1/20 0.38
TP53 P04637 1/20 0.37
CYP1A2 P05177 2/20 0.37
HSD17B10 Q99714 2/20 0.36
POLB P06746 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL21645388 0.76 CYP1A2 (0.47) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL482663 0.75 ALDH1A1 (0.44) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL9899992 0.72 DGAT1 (0.47) MAOBNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL933642 0.71 MAOA (0.46) MAOAMAOBLCKKITSRC
SCHEMBL5306606 0.69 S1PR1 (0.42) NPC1RAB9APDGFRBPDGFRAALDH1A1
SCHEMBL21976557 0.68 MAPT (0.48) RAB9AALDH1A1SMN1; SMN2MAPTCYP1A2
SCHEMBL24726102 0.68 CTNNB1 (0.53) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL933650 0.68 PTPN1 (0.47) MAOAMAOBCYP1A2
SCHEMBL24427996 0.67 MAPKAPK2 (0.48) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL2630547 0.67 GAA (0.46) MAOANPC1RAB9AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110112100-A1 Hepatitis C Virus Inhibitors PFIZER INC. 2011-05-12 US disclosed
US-20110112100-A1 Hepatitis C Virus Inhibitors PFIZER INC. 2011-05-12 US disclosed
US-20110112100-A1 Hepatitis C Virus Inhibitors PFIZER INC. 2011-05-12 US disclosed
WO-2011004276-A1 HEPATITIS C VIRUS INHIBITORS PFIZER LIMITED (GB) 2011-01-13 WO disclosed
WO-2011004276-A1 HEPATITIS C VIRUS INHIBITORS PFIZER LIMITED (GB) 2011-01-13 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-20110112100-A1 Hepatitis C Virus Inhibitors HAVCR2, SLC10A1, HCCS MAOA 2481/4885MAOB 1486/4885NPC1 36/4885

“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.