SCHEMBL21348672

SCHEMBL21348672

COc1cc(NC(=O)c2cc(C)ccc2F)cc(OC)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.56
▸ NPC1 O15118 4/20 0.56
▸ P2RX1 P51575 1/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ TP53 P04637 1/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ HTT P42858 1/20 0.52
▸ MAPT P10636 1/20 0.51
▸ KDM4E B2RXH2 2/20 0.50
▸ MAPK1 P28482 1/20 0.47
▸ TMPRSS4 Q9NRS4 1/20 0.47
▸ MAOA P21397 1/20 0.47

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
SCHEMBL21695735 0.82 RAB9A (0.52) RAB9ANPC1P2RX1SMN1; SMN2ALDH1A1
SCHEMBL21348671 0.82 KDM4E (0.53) RAB9ANPC1P2RX1SMN1; SMN2ALDH1A1
SCHEMBL18160397 0.82 LMNA (0.61) RAB9ANPC1P2RX1SMN1; SMN2MEN1
SCHEMBL17664551 0.82 MEN1 (0.56) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL15219450 0.79 MEN1 (0.58) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL17465717 0.79 RAB9A (0.55) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL29420092 0.77 NPC1 (0.81) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL16448829 0.77 KMT2A (0.57) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL14363380 0.76 TMPRSS4 (0.79) P2RX1MEN1KMT2ATMPRSS4
SCHEMBL18160411 0.75 MEN1 (0.60) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1

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 RAB9A 635/4885NPC1 1039/4885P2RX1 699/4885
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 RAB9A 635/4885NPC1 1039/4885P2RX1 699/4885

“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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