SCHEMBL841645

SCHEMBL841645

Nc1cccc(Cc2ccccc2N)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.53
MAOA P21397 3/20 0.53
CYP19A1 P11511 1/20 0.47
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
CYP3A4 P08684 1/20 0.42
CASP1 P29466 1/20 0.42
RECQL P46063 1/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
HTR2A P28223 1/20 0.38
POLB P06746 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
PARP1 P09874 1/20 0.37
FDPS P14324 1/20 0.37
BCL2 P10415 1/20 0.36

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
SCHEMBL486858 0.90 MAOB (0.59) MAOBMAOACYP19A1CA1CA2
SCHEMBL9253121 0.89 MAOB (0.55) MAOBMAOACYP19A1CA1CA2
SCHEMBL28158901 0.82 MAOB (0.52) MAOBMAOACYP19A1CA1CA2
SCHEMBL27369620 0.81 HSPA5 (0.54) MAOBMAOACYP19A1CA1CA2
SCHEMBL7730754 0.81 DHFR (0.54) CA1CA2CA9CYP3A4BCL2
SCHEMBL5718444 0.81 PNMT (0.52) CYP3A4SIGMAR1
SCHEMBL27272716 0.81 HTR2A (0.36) MAOBMAOACYP3A4HTR2APOLB
SCHEMBL542553 0.81 HTR2A (0.56) MAOBMAOACYP3A4CASP1HTR2A
SCHEMBL49433 0.80 MAOB (0.62) MAOBMAOACYP19A1CA1CA2
SCHEMBL30583096 0.80 MAOB (0.62) MAOBMAOACYP19A1CA1CA2

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 73 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240110002-A1 NOVEL POLYURETHANE OR POLYURETHANE-UREA COMPOSITION WITH ENHANCED LOW TEMPERATURE PERFORMANCE INGEVITY UK LTD (GB) 2024-04-04 US claimed
CN-114805802-B Benzoxazine-terminated imide, preparation method thereof and polybenzoxazine-terminated imide film 华南理工大学 2023-08-22 CN claimed
CN-118043732-A Weak anchoring liquid crystal aligning agent, liquid crystal display element and polymer 日产化学株式会社 2024-05-14 CN disclosed
CN-117925256-A Liquid crystal alignment agent, method for producing same, liquid crystal alignment film, and liquid crystal display element 奇美实业股份有限公司 2024-04-26 CN disclosed
US-20240110002-A1 NOVEL POLYURETHANE OR POLYURETHANE-UREA COMPOSITION WITH ENHANCED LOW TEMPERATURE PERFORMANCE INGEVITY UK LTD (GB) 2024-04-04 US disclosed
WO-2024058164-A1 LIQUID CRYSTAL ALIGNING AGENT AND LIQUID CRYSTAL DISPLAY ELEMENT 日産化学株式会社 2024-03-21 WO disclosed
CN-117460990-A Weak anchoring liquid crystal aligning agent, liquid crystal display element and copolymer 日产化学株式会社 2024-01-26 CN disclosed
CN-116997854-A Liquid crystal composition, method for manufacturing liquid crystal display element, and liquid crystal display element 日产化学株式会社 2023-11-03 CN disclosed
WO-2023171690-A1 WEAK-ANCHORING LIQUID CRYSTAL ALIGNING AGENT AND LIQUID CRYSTAL DISPLAY ELEMENT 日産化学株式会社 2023-09-14 WO disclosed
WO-2023157879-A1 WEAK-ANCHORING LIQUID CRYSTAL ALIGNING AGENT, AND LIQUID CRYSTAL DISPLAY ELEMENT 日産化学株式会社 2023-08-24 WO disclosed
WO-2023140322-A1 WEAK-ANCHORING LIQUID CRYSTAL ALIGNMENT AGENT, AND LIQUID CYRSTAL DISPLAY ELEMENT 日産化学株式会社 2023-07-27 WO disclosed
WO-2006104528-A1 DIIMINES AND SECONDARY DIAMINES ALBEMARLE CORPORATION (US) 2006-10-05 WO disclosed
US-20060217567-A1 Diimines and secondary diamines ALBEMARLE CORPORATION 2006-09-28 US disclosed
US-7030170-B2 Photosensitive resin composition, dry film, and workpiece using the same MITSUI CHEMICALS, INC. (JP) 2006-04-18 US disclosed
US-20030176528-A1 Photosensitive resin composition, dry film, and workpiece using the same MITSUI CHEMICALS, INC. (JP) 2003-09-18 US disclosed
EP-0257011-B1 PERMEATION MODIFIED ASYMMETRIC GAS SEPARATION MEMBRANES HAVING GRADED DENSITY SKINS PERMEA, Inc. (US) 1992-10-07 EP disclosed
US-4792404-A USING CHLORINE-RESISTANT POLYAMIDE MEMBRANE ALLIED-SIGNAL INC. (US) 1988-12-20 US disclosed
US-4728346-A PERMSELECTIVITY PERMEA INC. (US) 1988-03-01 US disclosed
EP-0257011-A2 Permeation modified asymmetric gas separation membranes having graded density skins PERMEA, Inc. (US) 1988-02-24 EP disclosed
US-4575385-A POLYSULFONES CONTACTED WITH BENZENE COMPOUND MONSANTO COMPANY (US) 1986-03-11 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-20060217567-A1 Diimines and secondary diamines DDT, DDC, AOC1 MAOB 207/4885MAOA 145/4885CYP19A1 2472/4885

“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.