SCHEMBL6033285

SCHEMBL6033285

O=C(Nc1nc2c(s1)CC1(CC2)OCCO1)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.49
GABRD O14764 2/20 0.49
GABRA1 P14867 2/20 0.49
GABRB1 P18505 2/20 0.49
GABRG2 P18507 2/20 0.49
GABRB3 P28472 2/20 0.49
GABRA5 P31644 2/20 0.49
GABRA3 P34903 2/20 0.49
GABRA2 P47869 2/20 0.49
GABRB2 P47870 2/20 0.49
GABRA4 P48169 2/20 0.49
GABRE P78334 2/20 0.49
GABRA6 Q16445 2/20 0.49
GABRG1 Q8N1C3 2/20 0.49
GABRG3 Q99928 2/20 0.49
GABRQ Q9UN88 2/20 0.49
SMN1; SMN2 Q16637 4/20 0.45
ALDH1A1 P00352 6/20 0.40
POLB P06746 2/20 0.40
GLS O94925 1/20 0.40

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
SCHEMBL29209595 0.77 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1POLBGLSRAB9A
SCHEMBL2711407 0.77 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1POLBGLSRAB9A
SCHEMBL11225833 0.75 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1POLBRAB9ANPC1
SCHEMBL6031607 0.74 MAPT (0.52) SMN1; SMN2ALDH1A1RAB9ANPC1MAPT
SCHEMBL307095 0.72 ROCK2 (0.54)
SCHEMBL307094 0.72 ROCK2 (0.54)
SCHEMBL19147502 0.70 POLB (0.47) SMN1; SMN2ALDH1A1POLBRAB9ANPC1
SCHEMBL6032798 0.70 MAPT (0.47) SMN1; SMN2ALDH1A1RAB9ANPC1MAPT
Trifluoroacetic Acid SCHEMBL308773 0.70 MAPT (0.49) SMN1; SMN2ALDH1A1RAB9ANPC1MAPT
Trifluoroacetic Acid SCHEMBL308772 0.70 MAPT (0.49) SMN1; SMN2ALDH1A1RAB9ANPC1MAPT

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
EP-2630144-B1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2016-09-07 EP disclosed
US-9000154-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-07 US disclosed
US-9000154-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-07 US disclosed
US-20120270868-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-25 US disclosed
US-20120270868-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-25 US disclosed
WO-2012054367-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-26 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-20120270868-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, RHOA GABRP 4103/4885GABRD 4821/4885GABRA1 4290/4885

“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.