SCHEMBL2700841

SCHEMBL2700841

N=C(N)Cc1ccc(CN)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 5/20 0.60
F10 P00742 1/20 0.60
ABAT P80404 1/20 0.50
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50
HTR3A P46098 1/20 0.50
HTR3D Q70Z44 1/20 0.50
HTR3C Q8WXA8 1/20 0.50
HRH3 Q9Y5N1 1/20 0.48
NOS1 P29475 3/20 0.45
NOS3 P29474 2/20 0.45
NOS2 P35228 2/20 0.45
ST14 Q9Y5Y6 2/20 0.44
F11 P03951 1/20 0.43
TAAR1 Q96RJ0 1/20 0.41
PLAU P00749 1/20 0.40
F2 P00734 1/20 0.39
PLG P00747 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39

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 SCHEMBL31314478 0.98 LOXL2 (0.58) LOXL2F10ABATHTR3EHTR3B
SCHEMBL16275249 0.82 NOS1 (0.48) LOXL2F10HTR3EHTR3BHTR3A
SCHEMBL1520205 0.80 CA2 (0.60) ABATHTR3EHTR3BHTR3AHTR3D
SCHEMBL4636749 0.80 MASP2 (0.48) LOXL2HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL11144849 0.78 CA2 (0.58) ABATHTR3EHTR3BHTR3AHTR3D
SCHEMBL799651 0.78 HTR3E (0.59) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL183375 0.78 IDO1 (0.57) LOXL2HTR3EHTR3BHTR3AHTR3D
SCHEMBL8842456 0.78 IDO1 (0.57) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL20008634 0.78 IDO1 (0.57) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL15149754 0.78 HTR3E (0.44) LOXL2F10HTR3EHTR3BHTR3A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240066135-A1 DRUG CONJUGATES AND USES THEREOF SUPERTRANS MEDICAL LTD (IL) 2024-02-29 US disclosed
US-20230146239-A1 GUANIDINE-MODIFIED C-TERMINUS VANCOMYCIN COMPOUNDS, COMPOSITIONS AND METHODS THE SCRIPPS RESEARCH INSTITUTE (US) 2023-05-11 US disclosed
EP-2450374-B9 PEPTIDE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-11-23 EP disclosed
US-9260500-B2 Peptide and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-02-16 US disclosed
EP-2450374-B1 PEPTIDE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-09-30 EP disclosed
US-20120172293-A1 PEPTIDE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2012-07-05 US disclosed
EP-2450374-A1 PEPTIDE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-05-09 EP 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 (3 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-20230146239-A1 GUANIDINE-MODIFIED C-TERMINUS VANCOMYCIN COMPOUNDS, COMPOSITIONS AND METHODS RNMT, RNGTT, CAPG LOXL2 3748/4885F10 4187/4885ABAT 1255/4885
US-20240066135-A1 DRUG CONJUGATES AND USES THEREOF SLC7A1, ABCB11, SLC1A5 LOXL2 3259/4885F10 3490/4885ABAT 1073/4885
US-20120172293-A1 PEPTIDE AND USE THEREOF GLP1R, GIPR, SCTR LOXL2 3293/4885F10 655/4885ABAT 1993/4885

“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.