SCHEMBL9045672

SCHEMBL9045672

C#CCNCc1ccc(F)cc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 3/20 0.66
LMNA P02545 3/20 0.59
CHRM2 P08172 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
PLA2G1B P04054 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
HTT P42858 1/20 0.44
DPP7 Q9UHL4 1/20 0.43
MAPK1 P28482 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 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
SCHEMBL13527792 0.89 PYCR1 (0.79) PYCR1LMNACHRM2KMT2AMEN1
Hydrochloric Acid SCHEMBL3168845 0.87 PYCR1 (0.76) PYCR1LMNACHRM2CYP2D6CYP2C19
SCHEMBL16256844 0.81 PYCR1 (0.68) PYCR1LMNACHRM2L3MBTL1CYP3A4
SCHEMBL18964968 0.81 PYCR1 (0.68) PYCR1LMNAL3MBTL1ALDH1A1KMT2A
SCHEMBL184001 0.79 LMNA (0.77) LMNACHRM2L3MBTL1CYP3A4CYP2D6
SCHEMBL1796909 0.79 LMNA (0.77) LMNACHRM2L3MBTL1CYP3A4CYP2D6
SCHEMBL10598258 0.79 PYCR1 (0.66) PYCR1CYP3A4ALDH1A1HTTMAOA
SCHEMBL6663240 0.79 LMNA (0.59) PYCR1LMNACHRM2L3MBTL1CYP3A4
Hydrochloric Acid SCHEMBL27845473 0.79 PYCR1 (0.66) PYCR1LMNACHRM2L3MBTL1CYP3A4
SCHEMBL19690421 0.79 PYCR1 (0.59) PYCR1ALDH1A1KMT2AMEN1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115975096-A Can catalyze CO in industrial waste gas 2 Copper-based N-heterocyclic carbene porous polymer converted into oxazolidinone, and preparation method and application thereof 桂林电子科技大学 2023-04-18 CN claimed
US-11858900-B2 Fluorinated 2-amino-4-(substituted amino)phenyl carbamate derivatives OCUTERRA THERAPEUTICS, INC. (US) 2024-01-02 US disclosed
US-11858900-B2 Fluorinated 2-amino-4-(substituted amino)phenyl carbamate derivatives OCUTERRA THERAPEUTICS, INC. (US) 2024-01-02 US disclosed
US-11858900-B2 Fluorinated 2-amino-4-(substituted amino)phenyl carbamate derivatives OCUTERRA THERAPEUTICS, INC. (US) 2024-01-02 US disclosed
CN-113956182-B HDAC/MAO-B dual inhibitor and preparation and application thereof 杭州师范大学 2023-11-17 CN disclosed
WO-2023061101-A1 HDAC/MAO-B DUAL INHIBITOR, PREPARATION THEREOF, AND APPLICATION THEREOF 杭州师范大学 2023-04-20 WO disclosed
CN-115975096-A Can catalyze CO in industrial waste gas 2 Copper-based N-heterocyclic carbene porous polymer converted into oxazolidinone, and preparation method and application thereof 桂林电子科技大学 2023-04-18 CN disclosed
CN-113956182-A HDAC/MAO-B dual inhibitor and preparation and application thereof 杭州师范大学 2022-01-21 CN disclosed
US-20210309612-A1 FLUORINATED 2-AMINO-4-(SUBSTITUTED AMINO)PHENYL CARBAMATE DERIVATIVES OCUTERRA THERAPEUTICS, INC. 2021-10-07 US disclosed
US-20210309612-A1 FLUORINATED 2-AMINO-4-(SUBSTITUTED AMINO)PHENYL CARBAMATE DERIVATIVES OCUTERRA THERAPEUTICS, INC. 2021-10-07 US disclosed
US-20170355679-A1 FLUORINATED 2-AMINO-4-(SUBSTITUTED AMINO)PHENYL CARBAMATE DERIVATIVES SCIFLUOR LIFE SCIENCES, INC. 2017-12-14 US disclosed
WO-2017214539-A1 FLUORINATED 2-AMINO-4-(SUBSTITUTED AMINO)PHENYL CARBAMATE DERIVATIVES SCIFLUOR LIFE SCIENCES, INC. (US) 2017-12-14 WO disclosed
EP-0540673-B1 ACETYLENE DERIVATIVES HAVING LIPOXYGENASE INHIBITORY ACTIVITY ABBOTT LAB (US) 1996-10-16 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-20170355679-A1 FLUORINATED 2-AMINO-4-(SUBSTITUTED AMINO)PHENYL CARBAMATE DERIVATIVES KCNQ2, KCNQ1, KCNQ3 PYCR1 4370/4885LMNA 2343/4885CHRM2 1179/4885
US-11858900-B2 Fluorinated 2-amino-4-(substituted amino)phenyl carbamate derivatives KCNQ2, KCNQ1, KCNQ3 PYCR1 4370/4885LMNA 2343/4885CHRM2 1179/4885
US-20210309612-A1 FLUORINATED 2-AMINO-4-(SUBSTITUTED AMINO)PHENYL CARBAMATE DERIVATIVES KCNQ2, KCNQ1, KCNQ3 PYCR1 4370/4885LMNA 2343/4885CHRM2 1179/4885

“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.