SCHEMBL6030006

SCHEMBL6030006

N=C(N)Cc1cccc(C(N)=O)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.58
HTR3B O95264 1/20 0.58
HTR3A P46098 1/20 0.58
HTR3D Q70Z44 1/20 0.58
HTR3C Q8WXA8 1/20 0.58
PARP1 P09874 6/20 0.50
PRSS1 P07477 2/20 0.50
PRSS2 P07478 2/20 0.50
PRSS3 P35030 2/20 0.50
LOXL2 Q9Y4K0 1/20 0.50
MEP1B Q16820 1/20 0.49
F10 P00742 2/20 0.47
ADRA1D P25100 1/20 0.46
FOLH1 Q04609 1/20 0.46

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
Hydrochloric Acid SCHEMBL2711615 0.98 HTR3E (0.56) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2343667 0.87 FOLH1 (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3054667 0.85 PARP1 (0.53) PARP1MEP1BF10FOLH1
SCHEMBL2426602 0.83 AKR1B1 (0.54) PARP1MEP1BFOLH1
SCHEMBL2810781 0.82 HTR3E (0.73) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2711148 0.82 LOXL2 (0.67) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9405490 0.81 PARP1 (0.53) PARP1LOXL2MEP1BF10FOLH1
SCHEMBL3048724 0.81 PARP1 (0.53) PARP1LOXL2MEP1BF10FOLH1
SCHEMBL5881143 0.81 PARP1 (0.53) PARP1PRSS1PRSS2PRSS3LOXL2
Hydrochloric Acid SCHEMBL2711145 0.80 LOXL2 (0.65) HTR3EHTR3BHTR3AHTR3DHTR3C

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 HTR3E 2649/4885HTR3B 2248/4885HTR3A 3275/4885

“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.