SCHEMBL23135380

SCHEMBL23135380

CNc1ccc(CNC(=N)NC(=N)N)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 1/20 0.37
▸ ADRA2B P18089 1/20 0.37
▸ ADRA2C P18825 1/20 0.37
▸ NPC1 O15118 2/20 0.36
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ F7 P08709 1/20 0.34
▸ CA1 P00915 3/20 0.33
▸ CA2 P00918 3/20 0.33
▸ NOS3 P29474 1/20 0.33
▸ NOS1 P29475 1/20 0.33
▸ NOS2 P35228 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ ST14 Q9Y5Y6 1/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33

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
SCHEMBL23135392 0.86 ADRA2A (0.41) ADRA2AADRA2BADRA2CNPC1CYP2C9
SCHEMBL17198946 0.83 LMNA (0.46) NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL23135429 0.81 EPHX2 (0.41) CYP2C9CYP2C19NOS1ALDH1A1ST14
SCHEMBL13563661 0.81 NPC1 (0.34) NPC1F7CA1CA2ALDH1A1
SCHEMBL1040794 0.79 CYP2C9 (0.58) NPC1CYP2C9CYP2C19CA1CA2
SCHEMBL17777347 0.79 PLA2G1B (0.52) NPC1ALDH1A1RAB9APOLB
SCHEMBL1520136 0.79 GRIN2D (0.49) CYP2C9CYP2C19CA1CA2ALDH1A1
SCHEMBL13381593 0.79 ALDH1A1 (0.56) NPC1CA1CA2ALDH1A1RAB9A
SCHEMBL13563544 0.78 NAMPT (0.39) ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL19371473 0.78 PLA2G1B (0.50) NPC1ALDH1A1RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230264171-A1 CHROMATOGRAPHY RESIN HAVING AN ANIONIC EXCHANGE-HYDROPHOBIC MIXED MODE LIGAND BIO-RAD LABORATORIES, INC. 2023-08-24 — — US disclosed
US-20230264171-A1 CHROMATOGRAPHY RESIN HAVING AN ANIONIC EXCHANGE-HYDROPHOBIC MIXED MODE LIGAND BIO-RAD LABORATORIES, INC. 2023-08-24 — — US disclosed
US-11666888-B2 Chromatography resin having an anionic exchange-hydrophobic mixed mode ligand BIO-RAD LABORATORIES, INC. (US) 2023-06-06 — — US disclosed
US-11666888-B2 Chromatography resin having an anionic exchange-hydrophobic mixed mode ligand BIO-RAD LABORATORIES, INC. (US) 2023-06-06 — — US disclosed
US-20210086165-A1 CHROMATOGRAPHY RESIN HAVING AN ANIONIC EXCHANGE-HYDROPHOBIC MIXED MODE LIGAND BIO-RAD LABORATORIES, INC. 2021-03-25 — — 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 (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-11666888-B2 Chromatography resin having an anionic exchange-hydrophobic mixed mode ligand MSR1, RXRA, MLX ADRA2A 2088/4885ADRA2B 2695/4885ADRA2C 2310/4885
US-20230264171-A1 CHROMATOGRAPHY RESIN HAVING AN ANIONIC EXCHANGE-HYDROPHOBIC MIXED MODE LIGAND MSR1, RXRA, MLX ADRA2A 2088/4885ADRA2B 2695/4885ADRA2C 2310/4885

“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.

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