Sugi Predict

Sugi Predict / Compounds / SCHEMBL18059269

SCHEMBL18059269

SCHEMBL18059269

O=C(NCCc1ccc(Cl)cc1)c1cc([N+](=O)[O-])[nH]n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.54
▸ TP53 P04637 1/20 0.54
▸ LMNA P02545 1/20 0.52
▸ L3MBTL1 Q9Y468 3/20 0.50
▸ CYP1A2 P05177 2/20 0.50
▸ CYP2D6 P10635 2/20 0.50
▸ RAB9A P51151 4/20 0.49
▸ NPC1 O15118 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ GAA P10253 2/20 0.49
▸ HPGD P15428 1/20 0.49
▸ CNR1 P21554 1/20 0.48
▸ PLK4 O00444 1/20 0.47
▸ AURKA O14965 1/20 0.47
▸ PRKD3 O94806 1/20 0.47
▸ MAP4K4 O95819 1/20 0.47
▸ CHEK2 O96017 1/20 0.47
▸ ROS1 P08922 1/20 0.47
▸ RPS6KB1 P23443 1/20 0.47

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
SCHEMBL15298144 0.89 HPGD (0.50) MAPTTP53LMNACYP1A2CYP2D6
SCHEMBL18059270 0.80 MAPT (0.58) MAPTTP53LMNAL3MBTL1CYP1A2
SCHEMBL13248190 0.78 HPGD (0.56) MAPTCYP1A2NPC1MEN1KMT2A
SCHEMBL15298154 0.78 HPGD (0.40) MAPTCYP1A2CYP2D6RAB9ANPC1
SCHEMBL16077518 0.76 HPGD (0.54) MAPTLMNAL3MBTL1CYP1A2RAB9A
SCHEMBL13248187 0.74 HPGD (0.52) MAPTLMNAMEN1KMT2AGAA
SCHEMBL13248185 0.72 HPGD (0.50) MAPTLMNAMEN1KMT2AGAA
SCHEMBL13248184 0.72 HPGD (0.50) MAPTLMNAL3MBTL1MEN1KMT2A
SCHEMBL4120709 0.72 CNR1 (0.55) MAPTTP53LMNAL3MBTL1CYP1A2
SCHEMBL18611642 0.71 HPGD (0.49) LMNAHPGDKDM4EGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160367557-A1 HETEROCYCLIC PYRIMIDINE CARBONIC ACID DERIVATIVES WHICH ARE USEFUL IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE SAVIRA PHARMACEUTICALS GMBH 2016-12-22 — — US disclosed
US-20160362423-A1 7-OXO-THIAZOLOPYRIDINE CARBONIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE SAVIRA PHARMACEUTICALS GMBH (AT) 2016-12-15 — — US disclosed
US-9434745-B2 7-oxo-thiazolopyridine carbonic acid derivatives and their use in the treatment, amelioration or prevention of a viral disease SAVIRA PHARMACEUTICALS GMBH (AT) 2016-09-06 — — 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 (2 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-20160362423-A1 7-OXO-THIAZOLOPYRIDINE CARBONIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE CA7, TLR7, ALAD MAPT 27/4885TP53 579/4885LMNA 2951/4885
US-20160367557-A1 HETEROCYCLIC PYRIMIDINE CARBONIC ACID DERIVATIVES WHICH ARE USEFUL IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE ALAD, XDH, UACA MAPT 16/4885TP53 288/4885LMNA 2069/4885

“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.