SCHEMBL19425451

SCHEMBL19425451

COc1c(Cc2cc(Cl)cc([N+](=O)[O-])c2O)cc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.43
MAPT P10636 4/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
GPR35 Q9HC97 3/20 0.41
SNCA P37840 1/20 0.41
TTR P02766 1/20 0.40
POLB P06746 2/20 0.39
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 2/20 0.39
HPGD P15428 1/20 0.39
G6PD P11413 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CASP1 P29466 1/20 0.36

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
SCHEMBL19419867 0.94 GPR35 (0.48) TPMTMAPTLMNAMEN1KMT2A
SCHEMBL11007373 0.87 GPR35 (0.52) MAPTLMNAMEN1KMT2AHTT
SCHEMBL11330105 0.85 GPR35 (0.50) MAPTLMNAMEN1KMT2AHTT
SCHEMBL19419866 0.81 GPR35 (0.59) MAPTLMNAMEN1KMT2AHTT
SCHEMBL17744715 0.79 GPR35 (0.50) MAPTLMNAMEN1KMT2AHTT
SCHEMBL5691398 0.78 TPMT (0.49) TPMTMAPTLMNAMEN1KMT2A
SCHEMBL19425413 0.78 GPR35 (0.41) MAPTLMNAMEN1KMT2AHTT
SCHEMBL7040420 0.77 GABRA1 (0.43) TPMTMAPTLMNAHTTTDP1
SCHEMBL16181312 0.77 HIF1A (0.66) MAPTLMNAMEN1KMT2AHTT
SCHEMBL19425414 0.76 MEN1 (0.46) MAPTLMNAMEN1KMT2AHTT

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-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES UNITY BIOTECHNOLOGY, INC. 2017-10-05 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-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES TP53, NQO1, SHMT2 TPMT 1095/4885MAPT 1762/4885LMNA 886/4885

“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.