SCHEMBL21729933

SCHEMBL21729933

O=[N+]([O-])c1ccc(-c2cnc(N/N=C/c3ccc(Br)cc3)nc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.79
KMT2A Q03164 10/20 0.78
MAPT P10636 10/20 0.78
MEN1 O00255 9/20 0.78
LMNA P02545 3/20 0.78
NPC1 O15118 5/20 0.59
RAB9A P51151 5/20 0.59
ALDH1A1 P00352 4/20 0.52
GAA P10253 3/20 0.52
KDM4E B2RXH2 2/20 0.52
HTT P42858 3/20 0.50
MAPK1 P28482 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
NPSR1 Q6W5P4 1/20 0.48
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
PIK3CA P42336 1/20 0.46
PIK3CB P42338 1/20 0.46

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
SCHEMBL21729898 0.88 KMT2A (0.78) TDP1KMT2AMAPTMEN1LMNA
SCHEMBL12113325 0.82 KMT2A (0.74) TDP1KMT2AMAPTMEN1LMNA
SCHEMBL12218394 0.82 KMT2A (0.73) TDP1KMT2AMAPTMEN1LMNA
SCHEMBL21729901 0.80 TDP1 (0.60) TDP1KMT2AMAPTMEN1LMNA
SCHEMBL21729900 0.75 MAPT (0.49) TDP1KMT2AMAPTMEN1LMNA
SCHEMBL21729902 0.74 KMT2A (0.68) TDP1KMT2AMAPTMEN1LMNA
SCHEMBL2329450 0.72 POLB (0.58) KMT2AMAPTMEN1LMNANPC1
SCHEMBL21626681 0.70 RAB9A (0.73) KMT2AMAPTMEN1LMNANPC1
SCHEMBL28001234 0.68 KDM4E (0.67) TDP1KMT2AMAPTMEN1LMNA
SCHEMBL14832107 0.68 KMT2A (0.73) TDP1KMT2AMAPTMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220062281-A1 INHIBITORS TO TARGET HIV-1 NEF-CD80/CD86 INTERACTIONS FOR THERAPEUTIC INTERVENTION NAT CENTRE FOR BIOLOGICAL SCIENCES TIFR (IN) 2022-03-03 US disclosed
WO-2020035880-A1 INHIBITORS TO TARGET HIV-1 NEF-CD80/CD86 INTERACTIONS FOR THERAPEUTIC INTERVENTION NATIONAL CENTRE FOR BIOLOGICAL SCIENCES-TIFR (IN) 2020-02-20 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 (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-20220062281-A1 INHIBITORS TO TARGET HIV-1 NEF-CD80/CD86 INTERACTIONS FOR THERAPEUTIC INTERVENTION CD4, CD14, CD69 TDP1 3710/4885KMT2A 2540/4885MAPT 298/4885

“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.