SCHEMBL1004133

SCHEMBL1004133

O=C1NC(=CC(=O)N2CCCCC2)Sc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.57
RAB9A P51151 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
HPGD P15428 5/20 0.49
MAPT P10636 4/20 0.49
POLB P06746 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
BCHE P06276 2/20 0.44
TSHR P16473 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 4/20 0.39
HTT P42858 2/20 0.39
GPR35 Q9HC97 1/20 0.39
NPC1 O15118 2/20 0.39
HIF1A Q16665 1/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL1004132 1.00 ALDH1A1 (0.57) ALDH1A1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL14273445 0.72 ALDH1A1 (0.52) ALDH1A1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL1001101 0.70 KDM4E (0.55) ALDH1A1SMN1; SMN2HPGDMAPTPOLB
SCHEMBL1001099 0.70 KDM4E (0.55) ALDH1A1SMN1; SMN2HPGDMAPTPOLB
SCHEMBL4086624 0.70 KDM4E (0.55) ALDH1A1SMN1; SMN2HPGDMAPTPOLB
SCHEMBL4093743 0.70 MAPT (0.64) ALDH1A1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL3897334 0.69 HPGD (0.60) ALDH1A1SMN1; SMN2HPGDMAPTPOLB
SCHEMBL3454844 0.63 ALDH1A1 (0.98) ALDH1A1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL3454845 0.63 ALDH1A1 (0.98) ALDH1A1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL3191985 0.63 L3MBTL1 (0.51) ALDH1A1SMN1; SMN2HPGDMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173360-B2 Cell death inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-08 US disclosed
EP-2270505-A1 A method of screening a cell death inhibitor using macrophage migration inhibitory factor (MIF) Takeda Pharmaceutical Company Limited (JP) 2011-01-05 EP disclosed
US-20100099106-A1 CELL DEATH INHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-22 US disclosed
US-7659267-B2 1,3-Benzothiazinone derivatives, process for producing the same use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-09 US disclosed
US-20060052371-A1 1,3-Benzothiazinone derivatives, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-03-09 US disclosed
US-20060034832-A1 Cell death inhibitor TAKEDA CHEMICAL INDUSTRIES, LTD (JP) 2006-02-16 US disclosed
EP-1568697-A1 1,3-BENZOTHIAZINONE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2005-08-31 EP disclosed
EP-1500402-A1 CELL DEATH INHIBITOR Takeda Pharmaceutical Company Limited (JP) 2005-01-26 EP disclosed
US-6794383-B2 Heart muscular cell apoptosis inhibitors and remedies/preventives for heart diseases TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-09-21 US disclosed
US-20030186971-A1 Heart muscular cell apoptosis inhibitors and remedies/preventives for heart diseases TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-02 US disclosed
EP-1325918-A1 HEART MUSCULAR CELL APOPTOSIS INHIBITORS AND REMEDIES/PREVENTIVES FOR HEART DISEASES Takeda Chemical Industries, Ltd. (JP) 2003-07-09 EP 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-20030186971-A1 Heart muscular cell apoptosis inhibitors and remedies/preventives for heart diseases TNNI3, TNNT2, BAX ALDH1A1 1539/4885RAB9A 3969/4885SMN1; SMN2 168/4885
US-20060034832-A1 Cell death inhibitor MIF, TNFSF11, PDCD6IP ALDH1A1 3716/4885RAB9A 3814/4885SMN1; SMN2 1396/4885
US-20060052371-A1 1,3-Benzothiazinone derivatives, process for producing the same and use thereof MIF, FOXM1, HMGB3 ALDH1A1 661/4885RAB9A 4089/4885SMN1; SMN2 3352/4885

“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.