SCHEMBL16755258

SCHEMBL16755258

O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccc([N+](=O)[O-])c(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.60
▸ SMN1; SMN2 Q16637 4/20 0.60
▸ HPGD P15428 5/20 0.58
▸ MAPT P10636 10/20 0.57
▸ TP53 P04637 4/20 0.57
▸ RXFP1 Q9HBX9 1/20 0.57
▸ MAPK1 P28482 2/20 0.53
▸ USP2 O75604 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ ATM Q13315 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ POLB P06746 1/20 0.52
▸ THRB P10828 1/20 0.52
▸ LMNA P02545 3/20 0.52
▸ SCD O00767 1/20 0.51
▸ MMP13 P45452 1/20 0.51
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49

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
SCHEMBL12980385 0.88 SMN1; SMN2 (0.65) ALDH1A1SMN1; SMN2HPGDMAPTTP53
SCHEMBL12981100 0.86 SMN1; SMN2 (0.67) ALDH1A1SMN1; SMN2HPGDMAPTTP53
SCHEMBL12980465 0.83 MAPT (0.65) ALDH1A1SMN1; SMN2HPGDMAPTTP53
SCHEMBL12963451 0.82 RAB9A (0.69) ALDH1A1SMN1; SMN2HPGDMAPTTP53
SCHEMBL12980369 0.80 HPGD (0.61) ALDH1A1SMN1; SMN2HPGDMAPTTP53
SCHEMBL12980863 0.79 SMN1; SMN2 (0.67) ALDH1A1SMN1; SMN2MAPTTP53RXFP1
SCHEMBL24711776 0.79 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2HPGDMAPTTP53
SCHEMBL30362646 0.79 HPGD (0.78) ALDH1A1SMN1; SMN2HPGDMAPTTP53
SCHEMBL25916294 0.79 HPGD (0.78) ALDH1A1SMN1; SMN2HPGDMAPTTP53
SCHEMBL12963279 0.78 MAPT (0.75) ALDH1A1SMN1; SMN2HPGDMAPTTP53

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-20150150852-A1 TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECHNOLOGIES, INC. (US) 2015-06-04 — — 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-20150150852-A1 TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS HAVCR2, TTPA, CHIA ALDH1A1 899/4885SMN1; SMN2 814/4885HPGD 1487/4885

“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.

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