SCHEMBL21729902

SCHEMBL21729902

O=[N+]([O-])c1cccc(-c2cnc(N/N=C/c3ccc(F)cc3)nc2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.68
MAPT P10636 10/20 0.68
MEN1 O00255 9/20 0.68
LMNA P02545 4/20 0.68
NPC1 O15118 6/20 0.60
RAB9A P51151 6/20 0.60
TDP1 Q9NUW8 2/20 0.56
POLB P06746 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
SMN1; SMN2 Q16637 5/20 0.48
CASP3 P42574 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
HTT P42858 3/20 0.47
ALDH1A1 P00352 4/20 0.46
PKM P14618 1/20 0.46
MAPK1 P28482 2/20 0.44
GAA P10253 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44

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 0.86 KMT2A (0.78) KMT2AMAPTMEN1LMNANPC1
SCHEMBL12113325 0.81 KMT2A (0.74) KMT2AMAPTMEN1LMNANPC1
SCHEMBL21729933 0.74 TDP1 (0.79) KMT2AMAPTMEN1LMNANPC1
SCHEMBL30469315 0.72 TSHR (0.57) MAPTLMNANPC1RAB9ATDP1
SCHEMBL20557373 0.72 TSHR (0.57) MAPTLMNANPC1RAB9ATDP1
SCHEMBL14782125 0.70 TSHR (0.59) MAPTLMNANPC1RAB9ATDP1
SCHEMBL21729899 0.70 MAPT (0.48) KMT2AMAPTMEN1LMNANPC1
SCHEMBL21729918 0.69 MAPT (0.53) KMT2AMAPTMEN1LMNANPC1
SCHEMBL27978555 0.69 TSHR (0.53) MAPTLMNANPC1RAB9ATDP1
SCHEMBL27804591 0.69 TDP1 (0.55) MAPTLMNANPC1RAB9ATDP1

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 KMT2A 2540/4885MAPT 298/4885MEN1 3858/4885

“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.