SCHEMBL418155

SCHEMBL418155

Cc1sc(NC(=O)c2ccc(C3CCCCC3)cc2)c(C(=O)OC(C)(C)C)c1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
ALDH1A1 P00352 10/20 0.44
HPGD P15428 7/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPK1 P28482 2/20 0.44
LMNA P02545 3/20 0.42
CYP2C9 P11712 2/20 0.42
FPR1 P21462 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PTBP1 P26599 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
THRB P10828 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL417864 0.87 RAB9A (0.51) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL28052537 0.84 GRM6 (0.40) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL1795054 0.74 ALDH1A1 (0.53) ALDH1A1HPGDSMN1; SMN2KDM4EMAPK1
SCHEMBL422244 0.73 ALDH1A1 (0.46) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL21253116 0.72 MAPT (0.55) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL1797214 0.71 ALDH1A1 (0.50) ALDH1A1HPGDSMN1; SMN2KDM4EMAPK1
SCHEMBL1796249 0.71 ALDH1A1 (0.53) ALDH1A1HPGDSMN1; SMN2KDM4EMAPK1
SCHEMBL21247046 0.71 ALDH1A1 (0.66) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL29896882 0.71 TP53 (0.50) NPC1RAB9ASMN1; SMN2CYP2C9CYP3A4
SCHEMBL14966754 0.70 HDAC8 (0.51) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E

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
EP-2607348-B1 Plasminogen Activator Inhibitor-1 Inhibitor RENASCIENCE INC (JP) 2021-03-17 EP disclosed
CN-102378753-B Plasminogen activator-1 inhibitor RENASCIENCE Co.,Ltd. (JP) 2016-03-02 CN disclosed
US-20140296256-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR RENASCIENCE CO LTD (JP) 2014-10-02 US disclosed
US-8785473-B2 Plasminogen activator inhibitor-1 inhibitor RENASCIENCE CO., LTD. (JP) 2014-07-22 US disclosed
EP-2607348-A2 Plasminogen Activator Inhibitor-1 Inhibitor Renascience CO., LTD. (JP) 2013-06-26 EP disclosed
CN-102378753-A Plasminogen activator inhibitor-1 inhibitor RENASCIENCE CO LTD 2012-03-14 CN disclosed
EP-2415755-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR Renascience CO., LTD. (JP) 2012-02-08 EP disclosed
US-20120022080-A1 Plasminogen Activator Inhibitor-1 Inhibitor RENASCIENCE CO., LTD. (JP) 2012-01-26 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-20140296256-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR SERPINE1, SERPINC1, SERPINB1 NPC1 893/4885RAB9A 2650/4885ALDH1A1 1450/4885
US-20120022080-A1 Plasminogen Activator Inhibitor-1 Inhibitor SERPINE1, SERPINC1, SERPINB1 NPC1 893/4885RAB9A 2650/4885ALDH1A1 1450/4885

“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.