SCHEMBL22188914

SCHEMBL22188914

Cn1cc(C(=O)c2ccccc2)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.62
▸ LMNA P02545 4/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ GAA P10253 1/20 0.54
▸ MAPT P10636 4/20 0.51
▸ HTT P42858 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ F2 P00734 1/20 0.49
▸ PLAU P00749 1/20 0.49
▸ KLKB1 P03952 1/20 0.49
▸ ELANE P08246 1/20 0.49
▸ CTRB1 P17538 1/20 0.49
▸ CDK2 P24941 2/20 0.48
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ NR4A2 P43354 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ MCL1 Q07820 1/20 0.47

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
SCHEMBL22188908 0.90 ALDH1A1 (0.56) POLBLMNAALDH1A1MAPTHTT
SCHEMBL9486190 0.89 POLB (0.47) POLBLMNAALDH1A1GAAMAPT
SCHEMBL9485938 0.85 MAPK1 (0.60) POLBLMNAALDH1A1GAAMAPT
SCHEMBL5327849 0.85 CDK2 (0.56) POLBALDH1A1MAPTCDK2L3MBTL1
SCHEMBL22188915 0.85 MAPT (0.48) POLBLMNAMAPTCDK2NPC1
SCHEMBL6488744 0.82 MAPT (0.49) POLBLMNAMAPTCDK2NPC1
SCHEMBL27709706 0.82 CDK2 (0.46) POLBLMNAALDH1A1MAPTCDK2
SCHEMBL9158566 0.81 EGFR (0.61) POLBLMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL15712273 0.81 LMNA (0.55) POLBLMNAALDH1A1GAAMAPT
SCHEMBL7508094 0.79 CDK2 (0.46) POLBLMNAMAPTCDK2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10752585-B2 Process for the preparation of Zafirlukast and analogs thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2020-08-25 — — US disclosed
US-20200216390-A1 PROCESS FOR THE PREPARATION OF ZAFIRLUKAST AND ANALOGS THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2020-07-09 — — 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-10752585-B2 Process for the preparation of Zafirlukast and analogs thereof CHUK, HRH2, CTSH POLB 3136/4885LMNA 1616/4885ALDH1A1 2301/4885
US-20200216390-A1 PROCESS FOR THE PREPARATION OF ZAFIRLUKAST AND ANALOGS THEREOF CHUK, CTSH, HRH2 POLB 3045/4885LMNA 1739/4885ALDH1A1 2602/4885

“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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