Sugi Predict

Sugi Predict / Compounds / SCHEMBL21850874

SCHEMBL21850874

SCHEMBL21850874

Cc1cc(NC(=O)OCCCl)cc(-n2cc(C=O)cn2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 4/20 0.36
▸ ACHE P22303 4/20 0.36
▸ ALDH1A1 P00352 3/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ GLA P06280 1/20 0.33
▸ GRIN2D O15399 1/20 0.32
▸ GRIN3B O60391 1/20 0.32
▸ GRIN1 Q05586 1/20 0.32
▸ GRIN2A Q12879 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ GRIN2C Q14957 1/20 0.32
▸ GRIN3A Q8TCU5 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ NPC1 O15118 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL30329539 1.00 BCHE (0.36) BCHEACHEALDH1A1KMT2AGLA
SCHEMBL20177083 0.82 GRIN2D (0.38) BCHEACHEALDH1A1KMT2AGRIN2D
SCHEMBL20575020 0.82 MAPK8 (0.33) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30329467 0.77 NPC1 (0.32) ALDH1A1GAANPC1RAB9ASMN1; SMN2
SCHEMBL21850827 0.77 NPC1 (0.32) ALDH1A1GAANPC1RAB9ASMN1; SMN2
SCHEMBL20575119 0.74 KIF18A (0.31) HPGD
SCHEMBL30445607 0.74 KIF18A (0.31) HPGD
SCHEMBL24135215 0.71 — —
SCHEMBL28358602 0.69 NPC1 (0.31) NPC1RAB9A
SCHEMBL20575115 0.69 GRIN2D (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-RE49700-E1 Substituted nitrogen containing compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-10-17 — — US disclosed
US-RE49700-E1 Substituted nitrogen containing compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-10-17 — — US disclosed
CN-110678463-B Substituted nitrogen-containing compounds 百时美施贵宝公司 2023-06-06 — — CN disclosed
EP-3929194-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS Bristol-Myers Squibb Company (US) 2021-12-29 — — EP disclosed
US-20200339550-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-10-29 — — US disclosed
US-20200109135-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-04-09 — — 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 (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-20200109135-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS NR0B1, GRK1, GRIN1 BCHE 4314/4885ACHE 3686/4885ALDH1A1 2289/4885
US-20200339550-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS NR0B1, GRK1, GRIN1 BCHE 4314/4885ACHE 3686/4885ALDH1A1 2289/4885

“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.