SCHEMBL13813

SCHEMBL13813

CC(C)c1ccc(C(=O)NCCO)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.69
RAB9A P51151 6/20 0.61
SMN1; SMN2 Q16637 5/20 0.61
NPC1 O15118 4/20 0.61
LMNA P02545 2/20 0.61
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
ALDH1A1 P00352 4/20 0.56
KDM4E B2RXH2 2/20 0.56
USP2 O75604 1/20 0.56
MAPT P10636 1/20 0.56
POLB P06746 2/20 0.56
HTT P42858 1/20 0.56
MMP13 P45452 1/20 0.55
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
HDAC3 O15379 1/20 0.49

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
SCHEMBL12920005 0.90 HPGD (0.75) HPGDRAB9ASMN1; SMN2NPC1LMNA
SCHEMBL17132595 0.86 HPGD (0.65) HPGDRAB9ASMN1; SMN2NPC1LMNA
SCHEMBL620074 0.84 POLB (0.66) HPGDLMNAMEN1KMT2AALDH1A1
SCHEMBL23254707 0.84 HPGD (0.63) HPGDRAB9ASMN1; SMN2NPC1LMNA
SCHEMBL12089756 0.84 TSHR (0.67) HPGDRAB9ASMN1; SMN2NPC1LMNA
SCHEMBL14441177 0.84 HPGD (0.63) HPGDRAB9ASMN1; SMN2NPC1LMNA
SCHEMBL12089923 0.83 HPGD (0.62) HPGDRAB9ASMN1; SMN2NPC1LMNA
SCHEMBL26078949 0.83 HPGD (0.61) HPGDRAB9ASMN1; SMN2NPC1LMNA
SCHEMBL104793 0.83 HPGD (0.70) HPGDRAB9ASMN1; SMN2NPC1LMNA
SCHEMBL25753422 0.82 MMP13 (0.59) HPGDRAB9ASMN1; SMN2NPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11247990-B1 Bicyclic fused pyridine compounds as inhibitors of TAM kinases ARRAY BIOPHARMA INC (US) 2022-02-15 US disclosed
US-9133186-B2 Hetero ring-fused imidazole derivative having AMPK activating effect SHIONOGI & CO., LTD. (JP) 2015-09-15 US disclosed
US-8586751-B2 Nicotinamide compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2013-11-19 US disclosed
US-20130184240-A1 HETERO RING-FUSED IMIDAZOLE DERIVATIVE HAVING AMPK ACTIVATING EFFECT SHIONOGI & CO., LTD. (JP) 2013-07-18 US disclosed
US-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MEYERS SQUIBB COMPANY 2012-04-05 US disclosed
WO-2011047319-A2 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2011-04-21 WO disclosed
US-20100068204-A1 4-ARYLOXYQUINOLIN-2(1H)-ONES AS MTOR KINASE AND PI3 KINASE INHIBITORS, FOR USE AS ANTI-CANCER AGENTS WYETH (US) 2010-03-18 US disclosed
US-7253158-B2 Sulfonamides HOFFMANN-LA ROCHE INC. (US) 2007-08-07 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 (4 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-20130184240-A1 HETERO RING-FUSED IMIDAZOLE DERIVATIVE HAVING AMPK ACTIVATING EFFECT PRKAA1, PRKAA2, PRKAG1 HPGD 2261/4885RAB9A 1895/4885SMN1; SMN2 4474/4885
US-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS NADK, BTK, NAMPT HPGD 225/4885RAB9A 1841/4885SMN1; SMN2 2328/4885
US-11247990-B1 Bicyclic fused pyridine compounds as inhibitors of TAM kinases MAP3K1, MAP3K3, MAP3K2 HPGD 3276/4885RAB9A 1582/4885SMN1; SMN2 3848/4885
US-20100068204-A1 4-ARYLOXYQUINOLIN-2(1H)-ONES AS MTOR KINASE AND PI3 KINASE INHIBITORS, FOR USE AS ANTI-CANCER AGENTS MTOR, RICTOR, PIK3CA HPGD 2472/4885RAB9A 331/4885SMN1; SMN2 4072/4885

“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.