SCHEMBL18876152

SCHEMBL18876152

Cc1cc([N+](=O)[O-])c2c(ccn2C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.47
CYP3A4 P08684 3/20 0.47
GPR35 Q9HC97 1/20 0.47
GAA P10253 1/20 0.41
HTR7 P34969 1/20 0.39
KDM4E B2RXH2 3/20 0.39
POLB P06746 1/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
ALDH1A1 P00352 4/20 0.37
MAPT P10636 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 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
SCHEMBL1982128 0.83 GAA (0.39) TSHRCYP3A4GPR35GAAHTR7
SCHEMBL3593138 0.77 GAA (0.53) TSHRCYP3A4GPR35GAAHTR7
SCHEMBL15712276 0.75 TSHR (0.46) TSHRCYP3A4GPR35POLBALDH1A1
SCHEMBL1986923 0.74 LPL (0.33) TSHRGAAHTR7POLBALDH1A1
SCHEMBL16982968 0.71 CYP2A6 (0.40) KDM4EMAPTTDP1CYP1A2NPSR1
SCHEMBL31036307 0.71 TSHR (0.42) TSHRCYP3A4GAAHTR7KDM4E
SCHEMBL15712189 0.70 ALDH1A1 (0.41) TSHRCYP3A4ALDH1A1MAPTTDP1
SCHEMBL17067701 0.70 TSHR (0.36) TSHRKDM4EPOLBALDH1A1MAPT
SCHEMBL18602180 0.69 TSHR (0.49) TSHRCYP3A4GAAHTR7POLB
SCHEMBL26114002 0.69 GAA (0.51) TSHRCYP3A4GAAHTR7ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170335191-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-23 US disclosed
US-20170306234-A1 LIQUID CRYSTAL COMPOSITION, METHOD OF PRODUCING THE SAME, AND RETARDATION FILM CONSTITUTED FROM THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-26 US disclosed
US-20170283700-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-05 US disclosed
US-20170283700-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-05 US disclosed
US-20170145312-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-25 US disclosed
US-20170145312-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-25 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-20170335191-A1 LIQUID CRYSTAL COMPOSITION RCC1, CCDC47, ACIN1 TSHR 4627/4885CYP3A4 3978/4885GPR35 3861/4885

“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.