SCHEMBL17393535

SCHEMBL17393535

Cc1cc(NC(C)(C)C)nc(Cl)c1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ POLB P06746 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.38
▸ SORT1 Q99523 6/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CYP3A4 P08684 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ DHODH Q02127 1/20 0.34
▸ HTT P42858 1/20 0.33
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ PIK3C3 Q8NEB9 1/20 0.33

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
SCHEMBL29384281 0.75 ALDH1A1 (0.74) SMN1; SMN2ALDH1A1MAPK1POLBKDM4E
SCHEMBL473877 0.75 ALDH1A1 (0.74) SMN1; SMN2ALDH1A1MAPK1POLBKDM4E
SCHEMBL5143956 0.74 SMN1; SMN2 (0.35) SMN1; SMN2ALDH1A1MAPK1POLBKDM4E
SCHEMBL28528625 0.73 SORT1 (0.46) SMN1; SMN2ALDH1A1MAPK1KDM4ESORT1
SCHEMBL3340047 0.73 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1MAPK1POLBKDM4E
SCHEMBL29898229 0.73 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1MAPK1POLBKDM4E
Hydrochloric Acid SCHEMBL11743005 0.73 SMN1; SMN2 (0.34) SMN1; SMN2ALDH1A1MAPK1KDM4EMAPT
Bromide SCHEMBL11739645 0.73 SMN1; SMN2 (0.34) SMN1; SMN2ALDH1A1MAPK1KDM4EMAPT
SCHEMBL11733104 0.73 POLB (0.42) SMN1; SMN2ALDH1A1POLBKDM4EMEN1
SCHEMBL11740878 0.72 CYP3A4 (0.41) ALDH1A1POLBKDM4EMEN1KMT2A

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-9655889-B2 Inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2017-05-23 — — US disclosed
US-20160000771-A1 Inhibitors of Human Immunodeficiency Virus Replication VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2016-01-07 — — 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-20160000771-A1 Inhibitors of Human Immunodeficiency Virus Replication EIF2AK2, RTF2, MAVS SMN1; SMN2 3068/4885ALDH1A1 3508/4885MAPK1 1620/4885

“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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