SCHEMBL501313

SCHEMBL501313

Cc1cc(CCl)cc(F)n1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL1314802 0.84 HTT (0.43) HTTSMN1; SMN2LMNAPOLBAPOBEC3G
SCHEMBL2859975 0.84 LOXL2 (0.33) LMNA
Hydrochloric Acid SCHEMBL502252 0.81 HTT (0.42) HTTSMN1; SMN2LMNAPOLBAPOBEC3G
SCHEMBL10264197 0.80 NPC1 (0.39) HTTSMN1; SMN2LMNAPOLBAPOBEC3G
SCHEMBL19016011 0.78 HTT (0.34) HTTLMNAPOLBAPOBEC3G
SCHEMBL4501039 0.77 SMN1; SMN2 (0.44) HTTSMN1; SMN2LMNAPOLBAPOBEC3G
SCHEMBL29560985 0.77 SMN1; SMN2 (0.44) HTTSMN1; SMN2LMNAPOLBAPOBEC3G
SCHEMBL28165892 0.77 HTT (0.33) HTTSMN1; SMN2LMNA
SCHEMBL16346063 0.74 NOS2 (0.52) HTTSMN1; SMN2
SCHEMBL31459011 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106064-B2 administering 1-[2-Chloro-6-(4-methoxy-benzylamino)-pyridin-4-ylmethyl]-6-(3-[1,3]dioxolan-2-yl-5-methyl-phenoxy)-5-isopropyl-1H-pyrimidine-2,4-dione viricide to treat AIDS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-01-31 US disclosed
US-8106064-B2 administering 1-[2-Chloro-6-(4-methoxy-benzylamino)-pyridin-4-ylmethyl]-6-(3-[1,3]dioxolan-2-yl-5-methyl-phenoxy)-5-isopropyl-1H-pyrimidine-2,4-dione viricide to treat AIDS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-01-31 US disclosed
US-20100034827-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2010-02-11 US disclosed
US-20100034827-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2010-02-11 US disclosed
CN-101495461-A Novel HIV reverse transcriptase inhibitors GILEAD SCIENCES INC (US) 2009-07-29 CN disclosed
EP-2044037-A2 HIV REVERSE TRANSCRIPTASE INHIBITORS Gilead Sciences, Inc. (US) 2009-04-08 EP disclosed
US-20080070920-A1 Novel HIV reverse transcriptase inhibitors KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-03-20 US disclosed
US-20080070920-A1 Novel HIV reverse transcriptase inhibitors KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-03-20 US disclosed
WO-2008016522-A2 HIV REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2008-02-07 WO disclosed
WO-2008016522-A2 HIV REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2008-02-07 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 (2 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-20100034827-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS POLR2E, POLRMT, POLR2H HTT 3189/4885SMN1; SMN2 2526/4885CA12 4542/4885
US-20080070920-A1 Novel HIV reverse transcriptase inhibitors POLR2E, POLRMT, POLR2H HTT 3181/4885SMN1; SMN2 2488/4885CA12 4541/4885

“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.