SCHEMBL9904980

SCHEMBL9904980

O=[N+]([O-])/C=C/c1cccn1-c1ccc(F)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.68
▸ ALDH1A1 P00352 7/20 0.68
▸ KDM4E B2RXH2 3/20 0.68
▸ HTT P42858 3/20 0.68
▸ SMN1; SMN2 Q16637 3/20 0.68
▸ LMNA P02545 3/20 0.68
▸ MAPK1 P28482 2/20 0.68
▸ HSP90AA1 P07900 2/20 0.68
▸ NPSR1 Q6W5P4 2/20 0.68
▸ MITF O75030 1/20 0.68
▸ NTSR1 P30989 1/20 0.68
▸ MC4R P32245 1/20 0.68
▸ HPGD P15428 1/20 0.68
▸ POLB P06746 5/20 0.56
▸ MEN1 O00255 4/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ L3MBTL1 Q9Y468 3/20 0.56
▸ RECQL P46063 3/20 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
SCHEMBL9904982 1.00 MAPT (0.68) MAPTALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL10895433 0.86 ALDH1A1 (0.69) MAPTALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL10376480 0.86 ALDH1A1 (0.69) MAPTALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL9904823 0.85 MAPT (0.68) MAPTALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL9904825 0.85 MAPT (0.68) MAPTALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL14788055 0.85 MAPT (0.72) MAPTALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL6052462 0.75 ATM (0.69) ALDH1A1HTTLMNAPOLBKMT2A
SCHEMBL19456938 0.70 MAPT (0.53) MAPTALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL102629 0.69 FBP1 (1.00) MAPTALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL102630 0.69 FBP1 (1.00) MAPTALDH1A1SMN1; SMN2LMNAMAPK1

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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