SCHEMBL18038102

SCHEMBL18038102

COC(=O)c1cccc(NC(=O)CN(C)CCO)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ HPGD P15428 1/20 0.55
▸ RAB9A P51151 5/20 0.53
▸ CYP1A2 P05177 2/20 0.52
▸ CYP3A4 P08684 2/20 0.52
▸ CYP2D6 P10635 2/20 0.52
▸ CYP2C9 P11712 2/20 0.52
▸ CYP2C19 P33261 2/20 0.52
▸ NPC1 O15118 3/20 0.51
▸ LMNA P02545 1/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ POLB P06746 1/20 0.49
▸ MAPT P10636 2/20 0.49
▸ TP53 P04637 1/20 0.49
▸ RORC P51449 1/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48

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
SCHEMBL28141147 0.81 HPGD (0.55) ALDH1A1KDM4EHPGDCYP1A2CYP3A4
SCHEMBL1353595 0.80 KMT2A (0.48) ALDH1A1KDM4EHPGDLMNASMN1; SMN2
SCHEMBL9030520 0.78 L3MBTL1 (0.68) ALDH1A1HPGDRAB9ACYP1A2CYP3A4
SCHEMBL7933619 0.76 ALDH1A1 (0.64) ALDH1A1HPGDRAB9ACYP1A2CYP3A4
SCHEMBL131787 0.76 ALDH1A1 (0.64) ALDH1A1HPGDRAB9ACYP1A2CYP3A4
SCHEMBL24027984 0.76 ALDH1A1 (0.64) ALDH1A1HPGDRAB9ACYP1A2CYP3A4
SCHEMBL10913181 0.76 ALDH1A1 (0.64) ALDH1A1HPGDRAB9ACYP1A2CYP3A4
SCHEMBL7467415 0.76 ALDH1A1 (0.66) ALDH1A1HPGDRAB9ACYP1A2CYP3A4
SCHEMBL3931936 0.75 RAB9A (0.65) ALDH1A1HPGDRAB9ACYP1A2CYP3A4
SCHEMBL28141070 0.74 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDLMNASMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10112935-B2 Indazolyl thiadiazolamines and related compounds for inhibition of Rho-associated protein kinase and the treatment of disease LYCERA CORPORATION (US) 2018-10-30 — — US disclosed
US-20180093978-A1 INDAZOLYL THIADIAZOLAMINES AND RELATED COMPOUNDS FOR INHIBITION OF RHO-ASSOCIATED PROTEIN KINASE AND THE TREATMENT OF DISEASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2018-04-05 — — US disclosed
US-20180093978-A1 INDAZOLYL THIADIAZOLAMINES AND RELATED COMPOUNDS FOR INHIBITION OF RHO-ASSOCIATED PROTEIN KINASE AND THE TREATMENT OF DISEASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2018-04-05 — — US disclosed
EP-3262041-A1 INDAZOLYL THIADIAZOLAMINES AND RELATED COMPOUNDS FOR INHIBITION OF RHO-ASSOCIATED PROTEIN KINASE AND THE TREATMENT OF DISEASE Lycera Corporation (US) 2018-01-03 — — EP disclosed
WO-2016138335-A1 INDAZOLYL THIADIAZOLAMINES AND RELATED COMPOUNDS FOR INHIBITION OF RHO-ASSOCIATED PROTEIN KINASE AND THE TREATMENT OF DISEASE LYCERA CORPORATION (US) 2016-09-01 — — WO disclosed
WO-2016138335-A1 INDAZOLYL THIADIAZOLAMINES AND RELATED COMPOUNDS FOR INHIBITION OF RHO-ASSOCIATED PROTEIN KINASE AND THE TREATMENT OF DISEASE LYCERA CORPORATION (US) 2016-09-01 — — 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 (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-10112935-B2 Indazolyl thiadiazolamines and related compounds for inhibition of Rho-associated protein kinase and the treatment of disease ROCK1, ROCK2, CIT ALDH1A1 3038/4885KDM4E 653/4885HPGD 584/4885
US-20180093978-A1 INDAZOLYL THIADIAZOLAMINES AND RELATED COMPOUNDS FOR INHIBITION OF RHO-ASSOCIATED PROTEIN KINASE AND THE TREATMENT OF DISEASE ROCK1, ROCK2, CIT ALDH1A1 3038/4885KDM4E 653/4885HPGD 584/4885

“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.

Send feedback