SCHEMBL6718989

SCHEMBL6718989

Clc1c2ccccc2nc2occc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.61
MAOB P27338 1/20 0.61
KCNA3 P22001 2/20 0.50
KDM4E B2RXH2 6/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37
TUBA3E Q6PEY2 1/20 0.37
TUBA1A Q71U36 1/20 0.37
TUBA1C Q9BQE3 1/20 0.37
TUBB6 Q9BUF5 1/20 0.37
TUBB2B Q9BVA1 1/20 0.37
TUBB1 Q9H4B7 1/20 0.37
ALDH1A1 P00352 5/20 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
SCHEMBL15263712 0.78 KCNA3 (0.50) MAOAMAOBKCNA3KDM4ETUBB4A
SCHEMBL455949 0.77 MAOA (1.00) MAOAMAOBKDM4EALDH1A1HPGD
SCHEMBL27889436 0.77 MAOA (1.00) MAOAMAOBKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL28400797 0.75 MAOA (0.95) MAOAMAOBKDM4EALDH1A1HPGD
Dictamnine SCHEMBL1760700 0.74 POLB (0.65) KCNA3KDM4ETUBB4ATUBBTUBA3C
SCHEMBL3423936 0.74 PDE10A (0.50) KCNA3KDM4EALDH1A1HPGDTDP1
SCHEMBL6714548 0.73 KDM1A (0.66) KCNA3KDM4ETDP1GLACASP1
SCHEMBL6712937 0.71 MAOA (0.52) MAOAMAOBKCNA3KDM4EALDH1A1
SCHEMBL7262166 0.70 MAOA (0.45) MAOAMAOBKCNA3KDM4EALDH1A1
SCHEMBL15124839 0.70 MAOA (0.82) MAOAMAOBKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116283762-A Intermediate compound for preparing dictamnine, preparation method of intermediate compound and preparation method of dictamnine 昆山市第一人民医院 2023-06-23 CN disclosed
US-6750223-B2 TO INHIBIT THE GROWTH OF A VARIETY OF TUMOR/CANCER CELLS, ESPECIALLY LEUKEMIA, COLON, MELANOMA, AND BREAST CANCER CELLS KAOHSIUNG MEDICAL UNIVERSITY (TW) 2004-06-15 US disclosed
US-20040072856-A1 4-ANILINO[2,3-b]QUINOLINE DERIVATIVES,THEIR PREPARATION PROCECC ANDPHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME KAOHSIUNG MEDICAL UNIVERSITY (TW) 2004-04-15 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-20040072856-A1 4-ANILINO[2,3-b]QUINOLINE DERIVATIVES,THEIR PREPARATION PROCECC ANDPHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME ADRA2C, CYP4B1, NQO2 MAOA 824/4885MAOB 464/4885KCNA3 1213/4885

“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.