SCHEMBL6720196

SCHEMBL6720196

O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.69
▸ KMT2A Q03164 8/20 0.69
▸ POLB P06746 4/20 0.66
▸ GFER P55789 1/20 0.66
▸ TDP1 Q9NUW8 2/20 0.64
▸ MAPT P10636 2/20 0.64
▸ ALDH1A1 P00352 2/20 0.64
▸ RAB9A P51151 1/20 0.62
▸ ALPL P05186 1/20 0.61
▸ ALPI P09923 1/20 0.61
▸ ALPG P10696 1/20 0.61
▸ LMNA P02545 2/20 0.59
▸ HPGD P15428 1/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ HIF1AN Q9NWT6 1/20 0.58
▸ ATM Q13315 1/20 0.58
▸ THRB P10828 1/20 0.57
▸ HTT P42858 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ PLA2G1B P04054 1/20 0.57

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
SCHEMBL12008798 0.87 KMT2A (0.77) MEN1KMT2APOLBGFERTDP1
SCHEMBL12008795 0.82 MEN1 (0.78) MEN1KMT2APOLBGFERTDP1
SCHEMBL12008781 0.81 MEN1 (0.73) MEN1KMT2APOLBGFERTDP1
SCHEMBL12008803 0.81 MEN1 (0.81) MEN1KMT2APOLBGFERTDP1
SCHEMBL11913672 0.81 MEN1 (0.79) MEN1KMT2APOLBGFERTDP1
SCHEMBL12008787 0.81 KMT2A (0.76) MEN1KMT2APOLBGFERTDP1
SCHEMBL12008810 0.80 KMT2A (1.00) MEN1KMT2APOLBGFERTDP1
SCHEMBL12008790 0.79 PPARG (0.76) MEN1KMT2APOLBGFERTDP1
SCHEMBL16994217 0.77 RAB9A (1.00) MEN1KMT2APOLBTDP1MAPT
SCHEMBL12008936 0.76 MEN1 (0.83) MEN1KMT2APOLBMAPTALDH1A1

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-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

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 1477/4885POLB 26/4885

“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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