SCHEMBL10099558

SCHEMBL10099558

Cc1ccccc1C(=O)NCCC(C)C

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.59
SMN1; SMN2 Q16637 5/20 0.59
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
KMT2A Q03164 3/20 0.56
MEN1 O00255 1/20 0.56
KCNA5 P22460 6/20 0.54
MAPK1 P28482 1/20 0.51

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
SCHEMBL15966070 0.90 HPGD (0.64) HPGDSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL11087644 0.90 NPC1 (0.63) HPGDSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL11087638 0.83 NPC1 (0.60) SMN1; SMN2NPC1RAB9AKMT2AKCNA5
SCHEMBL3331311 0.83 HPGD (0.60) HPGDSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL24142285 0.82 KCNA5 (0.60) HPGDSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL10269523 0.82 KMT2A (0.58) HPGDSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL2210472 0.82 HPGD (0.62) HPGDSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL4240788 0.82 KCNA5 (0.57) HPGDSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL461599 0.81 HPGD (0.64) HPGDSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL5221046 0.81 HPGD (0.64) HPGDSMN1; SMN2NPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021262693-A1 METHOTREXATE ANALOGS AND METHODS OF USE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-12-30 WO disclosed
EP-2206707-B1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-07-23 EP disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-8093227-B2 Monosaccharide compounds and methods therefor ALCHEMIA PTY LTD (AU) 2012-01-10 US disclosed
US-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-30 US disclosed
US-20100184607-A1 MONOSACCHARIDE COMPOUNDS AND METHODS THEREFOR ALCHEMIA PTY LTD. (AU) 2010-07-22 US disclosed
EP-2206707-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2010-07-14 EP disclosed
US-7417129-B2 Combinatorial libraries of monosaccharides ALCHEMIA PTY LTD (AU) 2008-08-26 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-20100184607-A1 MONOSACCHARIDE COMPOUNDS AND METHODS THEREFOR SLC5A1, UGGT1, MRPL21 HPGD 3034/4885SMN1; SMN2 3629/4885NPC1 969/4885
US-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF TRPV1, FGFR3, GPR17 HPGD 1224/4885SMN1; SMN2 3213/4885NPC1 4144/4885

“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.