SCHEMBL21348671

SCHEMBL21348671

CCc1ccc(F)c(C(=O)Nc2cc(OC)cc(OC)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ NPC1 O15118 4/20 0.52
▸ RAB9A P51151 4/20 0.52
▸ P2RX1 P51575 1/20 0.52
▸ TP53 P04637 4/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ MAPT P10636 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ POLB P06746 3/20 0.49
▸ NPSR1 Q6W5P4 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
SCHEMBL21348672 0.82 RAB9A (0.56) KDM4EMAPK1NPC1RAB9AP2RX1
SCHEMBL21695735 0.82 RAB9A (0.52) KDM4EMAPK1NPC1RAB9AP2RX1
SCHEMBL11918972 0.81 TP53 (0.54) KDM4ENPC1RAB9ATP53SMN1; SMN2
SCHEMBL10202756 0.77 ALDH1A1 (0.51) KDM4ESMN1; SMN2ALDH1A1GAAMAPT
SCHEMBL14117320 0.76 PPARA (0.55) KDM4EMAPK1NPC1RAB9ATP53
SCHEMBL23095470 0.75 GAA (0.53) KDM4EMAPK1NPC1RAB9ATP53
SCHEMBL17689588 0.74 PARP1 (0.47) NPC1RAB9ATP53KMT2AGAA
SCHEMBL8262547 0.73 TP53 (0.45) KDM4EMAPK1NPC1RAB9ATP53
SCHEMBL1918412 0.72 RAB9A (0.81) MAPK1NPC1RAB9ATP53SMN1; SMN2
SCHEMBL1918108 0.71 NPC1 (0.81) KDM4ENPC1RAB9ATP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10556898-B2 Indazolyl-1,2,4-thiadiazolamines and related compounds for inhibition of Rho-associated protein kinase and the treatment of disease LYCERA CORPORATION (US) 2020-02-11 — — US disclosed
US-20190276447-A1 INDAZOLYL-1,2,4-THIADIAZOLAMINES AND RELATED COMPOUNDS FOR INHIBITION OF RHO-ASSOCIATED PROTEIN KINASE AND THE TREATMENT OF DISEASE LYCERA CORPORATION 2019-09-12 — — 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-20190276447-A1 INDAZOLYL-1,2,4-THIADIAZOLAMINES AND RELATED COMPOUNDS FOR INHIBITION OF RHO-ASSOCIATED PROTEIN KINASE AND THE TREATMENT OF DISEASE ROCK1, ROCK2, TNK2 KDM4E 549/4885MAPK1 315/4885NPC1 1039/4885
US-10556898-B2 Indazolyl-1,2,4-thiadiazolamines and related compounds for inhibition of Rho-associated protein kinase and the treatment of disease ROCK1, ROCK2, TNK2 KDM4E 549/4885MAPK1 315/4885NPC1 1039/4885

“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.

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