SCHEMBL17712419

SCHEMBL17712419

Cc1nc(NC(=O)c2sc3ccccc3c2Cl)sc1C(=O)N(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 14/20 0.61
▸ SMN1; SMN2 Q16637 12/20 0.61
▸ NPC1 O15118 12/20 0.61
▸ MAPT P10636 8/20 0.61
▸ KMT2A Q03164 5/20 0.61
▸ TP53 P04637 4/20 0.61
▸ MEN1 O00255 3/20 0.61
▸ PTPN7 P35236 1/20 0.61
▸ PTPN12 Q05209 1/20 0.61
▸ PTPN22 Q9Y2R2 1/20 0.61
▸ ALDH1A1 P00352 5/20 0.60
▸ KDM4E B2RXH2 4/20 0.60
▸ CASP3 P42574 1/20 0.60
▸ SENP8 Q96LD8 1/20 0.60
▸ SENP7 Q9BQF6 1/20 0.60
▸ SENP6 Q9GZR1 1/20 0.60
▸ HPGD P15428 4/20 0.60
▸ RXFP1 Q9HBX9 1/20 0.56
▸ HTT P42858 2/20 0.56
▸ LMNA P02545 2/20 0.56

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 0.77 PTPN7 (0.77) RAB9ASMN1; SMN2NPC1MAPTKMT2A
SCHEMBL16062688 0.75 NPC1 (1.00) RAB9ASMN1; SMN2NPC1MAPTKMT2A
SCHEMBL3583274 0.75 RAB9A (1.00) RAB9ASMN1; SMN2NPC1MAPTTP53
SCHEMBL3582734 0.73 GAA (0.75) RAB9ASMN1; SMN2NPC1MAPTKMT2A
SCHEMBL23156521 0.73 NPC1 (0.65) RAB9ASMN1; SMN2NPC1MAPTKMT2A
SCHEMBL29865443 0.73 CASP3 (0.73) RAB9ASMN1; SMN2NPC1MAPTKMT2A
SCHEMBL23152701 0.73 CASP3 (0.73) RAB9ASMN1; SMN2NPC1MAPTKMT2A
SCHEMBL14315172 0.72 MAPT (1.00) RAB9ASMN1; SMN2NPC1MAPTKMT2A
SCHEMBL6228748 0.72 F10 (0.73) RAB9ASMN1; SMN2NPC1MAPTKMT2A
SCHEMBL12487310 0.71 SMN1; SMN2 (0.71) RAB9ASMN1; SMN2NPC1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9695193-B2 Inhibitors of Plasmodium falciparum equilibrative nucleoside transporter type I as anti-parasitic compounds THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-07-04 — — US disclosed
US-9695193-B2 Inhibitors of Plasmodium falciparum equilibrative nucleoside transporter type I as anti-parasitic compounds THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-07-04 — — US disclosed
US-9695193-B2 Inhibitors of Plasmodium falciparum equilibrative nucleoside transporter type I as anti-parasitic compounds THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-07-04 — — US disclosed
US-20160122362-A1 INHIBITORS OF PLASMODIUM FALCIPARUM EQUILIBRATIVE NUCLEOSIDE TRANSPORTER TYPE I AS ANTI-PARASITIC COMPOUNDS UNIV COLUMBIA (US) 2016-05-05 — — US disclosed
US-20160122362-A1 INHIBITORS OF PLASMODIUM FALCIPARUM EQUILIBRATIVE NUCLEOSIDE TRANSPORTER TYPE I AS ANTI-PARASITIC COMPOUNDS UNIV COLUMBIA (US) 2016-05-05 — — US disclosed
US-20160122362-A1 INHIBITORS OF PLASMODIUM FALCIPARUM EQUILIBRATIVE NUCLEOSIDE TRANSPORTER TYPE I AS ANTI-PARASITIC COMPOUNDS UNIV COLUMBIA (US) 2016-05-05 — — 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-20160122362-A1 INHIBITORS OF PLASMODIUM FALCIPARUM EQUILIBRATIVE NUCLEOSIDE TRANSPORTER TYPE I AS ANTI-PARASITIC COMPOUNDS SLC29A1, SLC29A2, SLC28A1 RAB9A 1709/4885SMN1; SMN2 4145/4885NPC1 144/4885

“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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