SCHEMBL2689653

SCHEMBL2689653

c1ccc(C2=NC3(N=C2c2ccccc2)c2ccc4ccccc4c2-c2c(ccc4ccccc24)C32N=C(c3ccccc3)C(c3ccccc3)=N2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.37
TDP1 Q9NUW8 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 3/20 0.37
TSHR P16473 2/20 0.37
CYP2A6 P11509 1/20 0.37
MAPT P10636 4/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
RECQL P46063 1/20 0.37
RAB9A P51151 1/20 0.37
CYP1B1 Q16678 2/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1A2 P05177 1/20 0.36
HPRT1 P00492 1/20 0.34
ESR1 P03372 4/20 0.34
ESR2 Q92731 4/20 0.34
DHFR P00374 1/20 0.34
TYMS P04818 1/20 0.34

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
SCHEMBL8666981 0.82 MAPT (0.39) TDP1ALDH1A1HSD17B10TSHRCYP2A6
SCHEMBL14883530 0.79 MAPT (0.40) WDR5TDP1ALDH1A1HSD17B10TSHR
SCHEMBL8667128 0.77 CYP1A2 (0.40) TDP1ALDH1A1HSD17B10TSHRMAPT
SCHEMBL14886295 0.74 CYP2A6 (0.42) WDR5TDP1ALDH1A1HSD17B10TSHR
SCHEMBL8666425 0.73 POLB (0.37) TDP1ALDH1A1HSD17B10TSHRCYP2A6
SCHEMBL8668404 0.73 CYP2A6 (0.43) TDP1ALDH1A1HSD17B10TSHRCYP2A6
SCHEMBL8666337 0.73 HPRT1 (0.36) TDP1ALDH1A1HSD17B10TSHRCYP2A6
SCHEMBL8665969 0.73 CYP2A6 (0.43) TDP1ALDH1A1HSD17B10TSHRCYP2A6
SCHEMBL8665808 0.72 CYP1A2 (0.45) ALDH1A1HSD17B10TSHRCYP2A6RECQL
SCHEMBL8665295 0.72 CYP2A6 (0.45) ALDH1A1CYP2A6MAPTLMNACYP1A2

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-8748629-B2 Photochromic material MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2014-06-10 US disclosed
US-8748629-B2 Photochromic material MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2014-06-10 US disclosed
US-20130102775-A1 PHOTOCHROMIC MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2013-04-25 US disclosed
US-20130102775-A1 PHOTOCHROMIC MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2013-04-25 US disclosed
WO-2012005354-A1 PHOTOCHROMIC MATERIAL 三菱瓦斯化学株式会社 (JP) 2012-01-12 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-20130102775-A1 PHOTOCHROMIC MATERIAL RB1, BRD4, H1-4 WDR5 364/4885TDP1 3137/4885ALDH1A1 586/4885

“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.