Sugi Predict

Sugi Predict / Compounds / SCHEMBL6448339

SCHEMBL6448339

SCHEMBL6448339

CO/N=C/c1ccc(F)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ SRC P12931 1/20 0.36
▸ MAOA P21397 2/20 0.35
▸ MAOB P27338 2/20 0.35
▸ EGFR P00533 2/20 0.35
▸ ERBB2 P04626 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ GRIN2D O15399 3/20 0.34
▸ GRIN3B O60391 3/20 0.34
▸ GRIN1 Q05586 3/20 0.34
▸ GRIN2A Q12879 3/20 0.34

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
SCHEMBL6448341 1.00 MAPT (0.39) MAPTRAB9ANPC1SMN1; SMN2CYP1A2
SCHEMBL12365169 0.83 ABL1 (0.40) PDE2APDE10A
SCHEMBL6077689 0.81 GRIN2D (0.51) MAPTRAB9ASRCGRIN2DGRIN3B
SCHEMBL10041862 0.81 MAPT (0.50) MAPTNPC1CYP1A2CYP2C19GRIN2D
SCHEMBL8220455 0.81 MAPT (0.50) MAPTNPC1CYP1A2CYP2C19GRIN2D
SCHEMBL6077684 0.81 GRIN2D (0.51) MAPTRAB9ASRCGRIN2DGRIN3B
SCHEMBL13128154 0.78 NFE2L2 (0.47) MAPTRAB9ASRCEGFRERBB2
SCHEMBL22925066 0.76 MAPT (0.40) MAPTRAB9ANPC1SMN1; SMN2CYP1A2
SCHEMBL6877878 0.76 IDO1 (0.39) MAPTRAB9ASRCGRIN2DGRIN3B
SCHEMBL6076718 0.76 SRC (0.34) MAPTRAB9ASRCGRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6890942-B2 Acyl sulfonamides as inhibitors of HIV integrase BRISTOL-MYERS SQUIBB COMPANY (US) 2005-05-10 — — US disclosed
US-20050004232-A1 Acyl sulfonamides as inhibitors of HIV integrase BRISTOL-MYERS SQUIBB COMPANY 2005-01-06 — — US disclosed
WO-2004103278-A2 ACYL SULFONAMIDES AS INHIBITORS OF HIV INTEGRASE BRISTOL-MYERS SQUIBB COMPANY (US) 2004-12-02 — — WO disclosed
EP-1467695-A2 HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2004-10-20 — — EP disclosed
US-6777440-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-08-17 — — US disclosed
US-20030176495-A1 HIV Integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-09-18 — — US disclosed
WO-2003049690-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-06-19 — — 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-20050004232-A1 Acyl sulfonamides as inhibitors of HIV integrase ACSS2, ARSA, ASS1 MAPT 3792/4885RAB9A 2881/4885NPC1 1823/4885
US-20030176495-A1 HIV Integrase inhibitors MAPT, RIF1, HPRT1 MAPT 1/4885RAB9A 2047/4885NPC1 230/4885

“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.