SCHEMBL3493385

SCHEMBL3493385

COc1cccc(-n2c(C)cc(C(=O)O)c2-c2cccs2)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.50
SMN1; SMN2 Q16637 1/20 0.45
TNFRSF1A P19438 2/20 0.41
LMNA P02545 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 3/20 0.41
MYC P01106 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39
TUBA3E Q6PEY2 1/20 0.39
TUBA1A Q71U36 1/20 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
SCHEMBL3494052 0.83 NOTUM (0.55) NOTUMLMNAALDH1A1HPGDMYC
SCHEMBL3492053 0.79 NOTUM (0.57) NOTUMSMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL3491782 0.72 MAPT (0.44) NOTUMLMNAALDH1A1HPGDTDP1
SCHEMBL3493425 0.72 MAPT (0.53) NOTUMSMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL3494689 0.70 KMO (0.47) NOTUMSMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL3495080 0.67 NOTUM (0.45) NOTUMALDH1A1HPGDMYCMAPK1
SCHEMBL4680908 0.66 TNFRSF1A (0.57) TNFRSF1AALDH1A1HPGDMAPK1TUBB4A
SCHEMBL29603325 0.65 MAPT (0.59) SMN1; SMN2LMNAALDH1A1HPGDMAPK1
SCHEMBL152563 0.65 MAPT (0.59) SMN1; SMN2LMNAALDH1A1HPGDMAPK1
SCHEMBL6312258 0.65 ALKBH1 (0.44) NOTUMLMNAALDH1A1HPGDMYC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-13 US disclosed
US-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-13 US disclosed
US-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-13 US disclosed
EP-1984355-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION Takeda Pharmaceutical Company Limited (JP) 2008-10-29 EP disclosed
WO-2007094513-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-23 WO disclosed
WO-2007094513-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-23 WO 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 (1 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-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension REN, AGTR1, AGTR2 NOTUM 1289/4885SMN1; SMN2 4730/4885TNFRSF1A 3317/4885

“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.