SCHEMBL6720997

SCHEMBL6720997

CC1=NN2C(=N)/C(=C/c3ccc(-c4ccccc4Cl)o3)C(=O)N=C2S1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.61
KMT2A Q03164 7/20 0.61
MEN1 O00255 6/20 0.61
POLB P06746 4/20 0.61
KDM4E B2RXH2 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
ALDH1A1 P00352 3/20 0.53
NPSR1 Q6W5P4 3/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
GFER P55789 1/20 0.51
RECQL P46063 2/20 0.48
SNRNP200 O75643 2/20 0.48
GSK3A P49840 1/20 0.48
GSK3B P49841 1/20 0.48
EIF4A3 P38919 1/20 0.47
EIF4A1 P60842 1/20 0.47
DHX29 Q7Z478 1/20 0.47
PSMD14 O00487 1/20 0.47
USP2 O75604 1/20 0.47

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
SCHEMBL16229979 0.76 SNRNP200 (0.57) MAPTKMT2AMEN1POLBKDM4E
SCHEMBL22036585 0.72 SNRNP200 (0.57) MAPTKMT2AMEN1POLBKDM4E
SCHEMBL12076 0.72 SNRNP200 (0.55) MAPTKMT2AMEN1POLBKDM4E
SCHEMBL14680225 0.72 KMT2A (0.54) MAPTKMT2AMEN1POLBKDM4E
SCHEMBL22036232 0.72 SNRNP200 (0.56) MAPTKMT2AMEN1POLBKDM4E
SCHEMBL3503222 0.71 PTP4A3 (0.74) MAPTKMT2AMEN1POLBKDM4E
SCHEMBL3503224 0.71 PTP4A3 (0.74) MAPTKMT2AMEN1POLBKDM4E
SCHEMBL31358792 0.69 JAK2 (0.60) MAPTKMT2AMEN1POLBKDM4E
SCHEMBL22523765 0.66 SNRNP200 (0.88) MAPTKMT2AMEN1POLBKDM4E
SCHEMBL3136571 0.65 INSR (0.59) MAPTKMT2AMEN1POLBSMN1; SMN2

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 MAPT 2174/4885KMT2A 1477/4885MEN1 4601/4885

“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.