SCHEMBL4138098

SCHEMBL4138098

[c]1cccc(NCCCn2ccnc2)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SOD1 P00441 3/20 0.54
QPCT Q16769 8/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
ATM Q13315 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 4/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
ALOX15 P16050 1/20 0.45
GAA P10253 1/20 0.45
MAOB P27338 1/20 0.45

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
SCHEMBL11495035 0.83 SOD1 (0.67) SOD1QPCTNPC1RAB9AATM
SCHEMBL5903394 0.76 NPC1 (0.55) SOD1QPCTNPC1RAB9AATM
SCHEMBL27418532 0.76 HMOX1 (0.61) SOD1QPCTNPC1RAB9AATM
SCHEMBL2539814 0.76 SOD1 (0.57) SOD1QPCTNPC1RAB9AATM
SCHEMBL5551707 0.75 SOD1 (0.53) SOD1QPCTNPC1RAB9AATM
Hydrochloric Acid SCHEMBL5191266 0.74 SOD1 (0.56) SOD1QPCTNPC1RAB9AATM
SCHEMBL6292244 0.74 KMT2A (0.60) QPCTATMMEN1KMT2AALDH1A1
SCHEMBL18457438 0.73 QPCT (0.56) SOD1QPCTNPC1RAB9AATM
SCHEMBL5903400 0.71 POLB (0.66) SOD1QPCTNPC1RAB9AATM
SCHEMBL7970502 0.70 QPCT (0.63) SOD1QPCTNPC1RAB9AATM

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-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2009-03-26 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-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES HAVCR2, MAVS, ZC3HAV1 SOD1 155/4885QPCT 3212/4885NPC1 149/4885

“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.