SCHEMBL12320091

SCHEMBL12320091

CNc1ccccc1Nc1c(C)ccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
CYP2A6 P11509 3/20 0.46
CYP1A2 P05177 3/20 0.46
ALDH1A1 P00352 6/20 0.39
HSD17B10 Q99714 3/20 0.38
HPGD P15428 3/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
CDC25B P30305 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
CCR4 P51679 1/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
KEAP1 Q14145 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 1/20 0.35
HSP90AA1 P07900 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
SCHEMBL1923154 0.93 TSHR (0.52) TSHRCYP2A6CYP1A2ALDH1A1HSD17B10
SCHEMBL1705487 0.83 TSHR (0.58) TSHRCYP2A6CYP1A2ALDH1A1HSD17B10
SCHEMBL9806709 0.81 TSHR (0.56) TSHRCYP2A6CYP1A2ALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL28311925 0.80 TSHR (0.54) TSHRCYP2A6CYP1A2ALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL5713244 0.80 TSHR (0.54) TSHRCYP2A6CYP1A2ALDH1A1HSD17B10
SCHEMBL1923153 0.78 TSHR (0.52) TSHRCYP2A6CYP1A2ALDH1A1HSD17B10
SCHEMBL12320584 0.78 RAPGEF4 (0.41) TSHRCYP2A6CYP1A2ALDH1A1HSD17B10
SCHEMBL23193120 0.77 PTGS2 (0.50) TSHRALDH1A1HSD17B10HPGDTDP1
SCHEMBL28165939 0.77 KDM1A (0.50) TSHRCYP2A6CYP1A2ALDH1A1HSD17B10
SCHEMBL11799846 0.76 FTO (0.58) CYP1A2CYP3A4CDC25BTDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8017774-B2 Producing method for iridium complex CANON KABUSHIKI KAISHA (JP) 2011-09-13 US disclosed
US-20070232803-A1 PRODUCING METHOD FOR IRIDIUM COMPLEX CANON KABUSHIKI KAISHA (JP) 2007-10-04 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-20070232803-A1 PRODUCING METHOD FOR IRIDIUM COMPLEX LAGE3, EML4, INTS9 TSHR 3611/4885CYP2A6 3773/4885CYP1A2 1857/4885

“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.