SCHEMBL17916672

SCHEMBL17916672

O=C(Nc1nc2ccc(F)cc2s1)c1sc2ccccc2c1Cl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN7 P35236 1/20 0.67
▸ PTPN12 Q05209 1/20 0.67
▸ PTPN22 Q9Y2R2 1/20 0.67
▸ LRRK2 Q5S007 2/20 0.64
▸ NPC1 O15118 10/20 0.64
▸ RAB9A P51151 10/20 0.64
▸ SMN1; SMN2 Q16637 8/20 0.64
▸ MAPT P10636 7/20 0.64
▸ HTT P42858 4/20 0.64
▸ POLB P06746 1/20 0.64
▸ PKM P14618 1/20 0.64
▸ AGTR1 P30556 1/20 0.64
▸ OPRK1 P41145 1/20 0.64
▸ TDP1 Q9NUW8 1/20 0.64
▸ PRSS12 P56730 1/20 0.63
▸ F10 P00742 2/20 0.58
▸ CSNK2A2 P19784 1/20 0.58
▸ CSNK2B P67870 1/20 0.58
▸ CSNK2A1 P68400 1/20 0.58
▸ CSNK2A3 Q8NEV1 1/20 0.58

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
SCHEMBL4918623 0.87 PTPN7 (0.77) PTPN7PTPN12PTPN22NPC1RAB9A
SCHEMBL4253115 0.83 PRSS12 (0.67) PTPN7PTPN12PTPN22LRRK2NPC1
SCHEMBL4249984 0.82 PTPN7 (0.63) PTPN7PTPN12PTPN22NPC1RAB9A
SCHEMBL4250099 0.79 MAPT (0.70) PTPN7PTPN12PTPN22NPC1RAB9A
SCHEMBL30370064 0.78 LRRK2 (1.00) LRRK2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL16562249 0.77 MAPT (0.76) NPC1RAB9ASMN1; SMN2MAPTF10
SCHEMBL16553806 0.76 MAPT (0.66) NPC1RAB9ASMN1; SMN2MAPTPRSS12
SCHEMBL15347245 0.74 TLR3 (0.56) NPC1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL2242799 0.74 NPC1 (0.70) LRRK2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL3787846 0.74 DYRK1A (0.76) LRRK2NPC1RAB9ASMN1; SMN2MAPT

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-9789096-B2 Methods and compositions for selective and targeted cancer therapy BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-10-17 — — US disclosed
US-9789096-B2 Methods and compositions for selective and targeted cancer therapy BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-10-17 — — US disclosed
US-20160200695-A1 Methods and Compositions for Selective and Targeted Cancer Therapy BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-07-14 — — US disclosed
US-20160200695-A1 Methods and Compositions for Selective and Targeted Cancer Therapy BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-07-14 — — 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-20160200695-A1 Methods and Compositions for Selective and Targeted Cancer Therapy NCOA4, SREBF1, ACOX1 PTPN7 4048/4885PTPN12 3929/4885PTPN22 3301/4885

“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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