SCHEMBL9904825

SCHEMBL9904825

O=[N+]([O-])C=Cc1cccn1-c1ccc(Cl)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.68
▸ ALDH1A1 P00352 7/20 0.68
▸ KDM4E B2RXH2 4/20 0.68
▸ HTT P42858 4/20 0.68
▸ MAPK1 P28482 3/20 0.68
▸ NPSR1 Q6W5P4 3/20 0.68
▸ HPGD P15428 3/20 0.68
▸ SMN1; SMN2 Q16637 2/20 0.68
▸ HSP90AA1 P07900 2/20 0.68
▸ NTSR1 P30989 2/20 0.68
▸ LMNA P02545 2/20 0.68
▸ MITF O75030 1/20 0.68
▸ MC4R P32245 1/20 0.68
▸ L3MBTL1 Q9Y468 5/20 0.56
▸ KMT2A Q03164 5/20 0.56
▸ POLB P06746 4/20 0.56
▸ MEN1 O00255 4/20 0.56
▸ RECQL P46063 2/20 0.56
▸ APEX1 P27695 1/20 0.56
▸ FBP1 P09467 3/20 0.51

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
SCHEMBL9904823 1.00 MAPT (0.68) MAPTALDH1A1KDM4EHTTMAPK1
SCHEMBL10376480 0.86 ALDH1A1 (0.69) MAPTALDH1A1KDM4EHTTMAPK1
SCHEMBL10895433 0.86 ALDH1A1 (0.69) MAPTALDH1A1KDM4EHTTMAPK1
SCHEMBL14788055 0.85 MAPT (0.72) MAPTALDH1A1KDM4EHTTMAPK1
SCHEMBL9904982 0.85 MAPT (0.68) MAPTALDH1A1KDM4EHTTMAPK1
SCHEMBL9904980 0.85 MAPT (0.68) MAPTALDH1A1KDM4EHTTMAPK1
SCHEMBL4003906 0.76 PKM (0.49) MAPTALDH1A1KDM4EHTTMAPK1
SCHEMBL4003909 0.76 PKM (0.49) MAPTALDH1A1KDM4EHTTMAPK1
SCHEMBL1419333 0.75 ATM (0.69) MAPTALDH1A1KDM4EHTTNPSR1
SCHEMBL1233090 0.74 PKM (0.47) MAPTALDH1A1KDM4EHTTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012079032-A2 COMPOSITIONS AND METHODS OF TREATING DRUG-RESISTANT RETROVIRAL INFECTIONS TRANA DISCOVERY, INC. (US) 2012-06-14 — — WO claimed
US-20190022100-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TRANA DISCOVERY INC (US) 2019-01-24 — — US disclosed
US-10098887-B2 Antiviral compounds and methods of use thereof TRANA DISCOVERY, INC. (US) 2018-10-16 — — US disclosed
US-20160129006-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TRANA DISCOVERY INC (US) 2016-05-12 — — US disclosed
US-9173886-B2 Antiviral compounds and methods of use thereof TRANA DISCOVERY, INC. (US) 2015-11-03 — — US disclosed
US-20130071353-A1 Antiviral Compounds and Methods of Use Thereof TRANA DISCOVERY, INC (US) 2013-03-21 — — US disclosed
WO-2012079032-A2 COMPOSITIONS AND METHODS OF TREATING DRUG-RESISTANT RETROVIRAL INFECTIONS TRANA DISCOVERY, INC. (US) 2012-06-14 — — 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 (4 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-10098887-B2 Antiviral compounds and methods of use thereof TYMP, MAVS, ZC3HAV1 MAPT 3443/4885ALDH1A1 2506/4885KDM4E 1881/4885
US-20160129006-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TYMP, MAVS, ZC3HAV1 MAPT 3443/4885ALDH1A1 2506/4885KDM4E 1881/4885
US-20130071353-A1 Antiviral Compounds and Methods of Use Thereof TYMP, MAVS, ZC3HAV1 MAPT 3443/4885ALDH1A1 2506/4885KDM4E 1881/4885
US-20190022100-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TYMP, MAVS, ZC3HAV1 MAPT 3443/4885ALDH1A1 2506/4885KDM4E 1881/4885

“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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