SCHEMBL6832118

SCHEMBL6832118

O=Cc1ccc(-c2ncn(-c3ccccc3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 1/20 0.44
PTGS2 P35354 1/20 0.43
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 3/20 0.42
MAPK1 P28482 1/20 0.42
POLB P06746 1/20 0.41
CYP2A6 P11509 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
P2RX7 Q99572 1/20 0.40
KMT2A Q03164 3/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
NLRP3 Q96P20 1/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
NOTUM Q6P988 1/20 0.37

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
SCHEMBL27985031 0.87 KCNJ1 (0.40) KCNJ1PTGS2ALDH1A1KDM4EMAPK1
SCHEMBL18672145 0.85 ALDH1A1 (0.54) KCNJ1ALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL19244927 0.84 KCNJ1 (0.45) KCNJ1PTGS2ALDH1A1KDM4EMAPK1
SCHEMBL19244630 0.84 ALDH5A1 (0.48) KCNJ1ALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL4549492 0.84 CYP2A6 (0.48) KCNJ1ALDH1A1KDM4EMAPK1POLB
SCHEMBL458419 0.84 NPC1 (0.46) PTGS2ALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL2396469 0.81 CYP11B1 (0.44) ALDH1A1KDM4EMAPK1SMN1; SMN2KMT2A
SCHEMBL16030407 0.81 KCNJ1 (0.42) KCNJ1PTGS2ALDH1A1KDM4EMAPK1
SCHEMBL19244926 0.81 KCNJ1 (0.42) KCNJ1PTGS2ALDH1A1KDM4EMAPK1
SCHEMBL4549490 0.81 HPGDS (0.50) ALDH1A1KDM4EPOLBSMN1; SMN2KMT2A

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-20120122805-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-05-17 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-20120122805-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS KCNJ1 1307/4885PTGS2 910/4885ALDH1A1 2560/4885

“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.