SCHEMBL6721107

SCHEMBL6721107

Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C/c2ccc3cccc(O)c3n2)o1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 11/20 0.58
▸ KMT2A Q03164 11/20 0.58
▸ NPC1 O15118 7/20 0.58
▸ RAB9A P51151 4/20 0.58
▸ LCK P06239 1/20 0.51
▸ MAPT P10636 4/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ LMNA P02545 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ GAA P10253 1/20 0.41
▸ MET P08581 1/20 0.41
▸ EGFR P00533 1/20 0.41
▸ HSP90AA1 P07900 2/20 0.40
▸ AGTR1 P30556 2/20 0.40
▸ ECE2 P0DPD6 1/20 0.40
▸ CD74 P04233 1/20 0.40
▸ MIF P14174 1/20 0.40
▸ POLB P06746 1/20 0.40

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
SCHEMBL28433359 0.77 KMT2A (0.61) MEN1KMT2ANPC1RAB9ALCK
SCHEMBL28433360 0.77 KMT2A (0.61) MEN1KMT2ANPC1RAB9ALCK
SCHEMBL14426516 0.75 MEN1 (0.72) MEN1KMT2ANPC1RAB9ALCK
Acetic Acid SCHEMBL4458658 0.75 KMT2A (0.56) MEN1KMT2ANPC1RAB9ALCK
Acetic Acid SCHEMBL4458660 0.75 KMT2A (0.56) MEN1KMT2ANPC1RAB9ALCK
Acetic Acid SCHEMBL4458652 0.75 KMT2A (0.56) MEN1KMT2ANPC1RAB9ALCK
SCHEMBL28471971 0.74 MEN1 (1.00) MEN1KMT2ANPC1RAB9ALCK
SCHEMBL28471970 0.74 MEN1 (1.00) MEN1KMT2ANPC1RAB9ALCK
SCHEMBL14426512 0.72 KMT2A (0.69) MEN1KMT2ANPC1RAB9ALCK
SCHEMBL6721106 0.70 KMT2A (0.57) MEN1KMT2ANPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183236-B2 Compounds with HIV-1 integrase inhibitory activity and use thereof as anti-HIV/AIDS therapeutics UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2012-05-22 — — US disclosed
US-8183236-B2 Compounds with HIV-1 integrase inhibitory activity and use thereof as anti-HIV/AIDS therapeutics UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2012-05-22 — — US disclosed
US-20090088420-A1 COMPOUNDS WITH HIV-1 INTEGRASE INHIBITORY ACTIVITY AND USE THEREOF AS ANTI-HIV/AIDS THERAPEUTICS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-04-02 — — US disclosed
US-20090088420-A1 COMPOUNDS WITH HIV-1 INTEGRASE INHIBITORY ACTIVITY AND USE THEREOF AS ANTI-HIV/AIDS THERAPEUTICS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-04-02 — — 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 (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-20090088420-A1 COMPOUNDS WITH HIV-1 INTEGRASE INHIBITORY ACTIVITY AND USE THEREOF AS ANTI-HIV/AIDS THERAPEUTICS TYMP, IMPDH1, SAMHD1 MEN1 4601/4885KMT2A 1477/4885NPC1 777/4885

“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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