Sugi Predict

Sugi Predict / Compounds / SCHEMBL13836637

SCHEMBL13836637

SCHEMBL13836637

O=C(Nc1ccc2c(ccn2-c2ccc(C(=O)NC3CC3)cc2)c1)c1ccc(N2CCS(O)(O)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMYD3 Q9H7B4 2/20 0.44
▸ BRD4 O60885 2/20 0.43
▸ HPGDS O60760 1/20 0.43
▸ RAB9A P51151 7/20 0.43
▸ MAPT P10636 3/20 0.43
▸ F2 P00734 1/20 0.40
▸ F10 P00742 1/20 0.40
▸ PRSS1 P07477 1/20 0.40
▸ NPC1 O15118 6/20 0.40
▸ KDR P35968 1/20 0.40
▸ FLT3 P36888 1/20 0.40
▸ EPHX2 P34913 1/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ HTR1D P28221 1/20 0.39
▸ HTR1B P28222 1/20 0.39
▸ HTR1F P30939 1/20 0.39
▸ DHODH Q02127 1/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39

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
SCHEMBL1666855 0.93 BRD4 (0.47) SMYD3BRD4HPGDSRAB9AMAPT
SCHEMBL13836635 0.93 SMYD3 (0.44) SMYD3BRD4HPGDSRAB9AMAPT
SCHEMBL1664406 0.90 NPC1 (0.53) BRD4HPGDSRAB9ANPC1KDR
SCHEMBL1666784 0.89 SMYD3 (0.46) SMYD3BRD4HPGDSRAB9AMAPT
SCHEMBL1666853 0.85 BRD4 (0.45) SMYD3BRD4HPGDSRAB9AMAPT
SCHEMBL1667322 0.84 HPGDS (0.48) SMYD3HPGDSRAB9AMAPTF2
SCHEMBL1664403 0.82 BRD4 (0.57) SMYD3BRD4HPGDSRAB9ANPC1
SCHEMBL1664450 0.81 SMYD3 (0.43) SMYD3HPGDSRAB9AMAPTF2
SCHEMBL1663977 0.81 SMYD3 (0.39) SMYD3BRD4HPGDSRAB9AMAPT
SCHEMBL1666783 0.81 SMYD3 (0.46) SMYD3BRD4HPGDSRAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9622991-B2 Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARMACEUTICALS INC. (US) 2017-04-18 — — US disclosed
US-9144557-B2 Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARMACEUTICALS INC. (US) 2015-09-29 — — US disclosed
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2015-09-10 — — US disclosed
US-20140243324-A1 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-08-28 — — US disclosed
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2012-11-22 — — 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 (3 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-20140243324-A1 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS HGF, EPOR, MPL SMYD3 2302/4885BRD4 2807/4885HPGDS 12/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF SMYD3 1128/4885BRD4 648/4885HPGDS 20/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF SMYD3 1128/4885BRD4 648/4885HPGDS 20/4885

“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.