SCHEMBL7124405

SCHEMBL7124405

Cn1c(CCc2ccc(C(=N)N)cc2)nc2cc(N(Cc3cccc4ccccc34)C(=O)NCc3ccccc3)ccc21

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2 P00734 18/20 0.57
HDAC1 Q13547 2/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
SLC22A2 O15244 1/20 0.42
F10 P00742 1/20 0.42
PLG P00747 1/20 0.42
PLAT P00750 1/20 0.42
PROC P04070 1/20 0.42
HPN P05981 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
NQO2 P16083 1/20 0.42
PRSS3 P35030 1/20 0.42
SLC47A2 Q86VL8 1/20 0.42
SLC47A1 Q96FL8 1/20 0.42

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 SCHEMBL7441346 0.91 F2 (0.54) F2HDAC1HDAC6SLC22A2F10
SCHEMBL7224825 0.91 F2 (0.57) F2SLC22A2F10PLGPLAT
Hydrochloric Acid SCHEMBL7440902 0.90 F2 (0.54) F2HDAC1HDAC6SLC22A2F10
SCHEMBL7216977 0.89 F2 (0.55) F2HDAC1HDAC6
Hydrochloric Acid SCHEMBL7440792 0.88 F2 (0.52) F2HDAC1HDAC6SLC22A2F10
SCHEMBL7120171 0.88 HDAC1 (0.43) F2HDAC1HDAC8HDAC6
Hydrochloric Acid SCHEMBL6163135 0.87 F2 (0.51) F2
Hydrochloric Acid SCHEMBL7442834 0.87 F2 (0.51) F2SLC22A2F10PLGPLAT
Hydrochloric Acid SCHEMBL7434460 0.87 F2 (0.51) F2HDAC1HDAC6SLC22A2F10
Hydrochloric Acid SCHEMBL7441342 0.87 F2 (0.51) F2HDAC1HDAC6SLC22A2F10

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-6656956-B2 Tryptase inhibitor; antiinflamamtory agents, antiallergens BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-12-02 US disclosed
US-20030105137-A1 Benzimidazole derivatives, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-06-05 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 (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-20030105137-A1 Benzimidazole derivatives, processes for preparing them and their use as pharmaceutical compositions CMA1, TPSD1, TPSAB1 F2 764/4885HDAC1 240/4885HDAC8 390/4885

“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.