SCHEMBL22188908

SCHEMBL22188908

Cc1ccc(C(=O)c2cn(C)c3ccc([N+](=O)[O-])cc23)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.56
▸ PAX8 Q06710 1/20 0.54
▸ LMNA P02545 4/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ CDK2 P24941 2/20 0.49
▸ POLB P06746 1/20 0.48
▸ MAPT P10636 5/20 0.47
▸ HTT P42858 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ KMT2A Q03164 1/20 0.44

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
SCHEMBL9486190 0.91 POLB (0.47) ALDH1A1PAX8LMNARAB9ACDK2
SCHEMBL22188914 0.90 POLB (0.62) ALDH1A1LMNARAB9ACDK2POLB
SCHEMBL9485938 0.88 MAPK1 (0.60) ALDH1A1PAX8LMNAPOLBMAPT
SCHEMBL5327849 0.82 CDK2 (0.56) ALDH1A1CDK2POLBMAPTTDP1
SCHEMBL6488744 0.82 MAPT (0.49) LMNACDK2POLBMAPT
SCHEMBL27709706 0.82 CDK2 (0.46) ALDH1A1LMNACDK2POLBMAPT
SCHEMBL22188915 0.80 MAPT (0.48) LMNACDK2POLBMAPTMEN1
SCHEMBL29263665 0.79 NR4A2 (0.59) ALDH1A1LMNACDK2POLBMAPT
SCHEMBL7508094 0.79 CDK2 (0.46) LMNACDK2POLBMAPTMEN1
SCHEMBL22188909 0.79 PLA2G4A (0.52) ALDH1A1CDK2POLBMAPTHTT

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 ALDH1A1 2301/4885PAX8 4724/4885LMNA 1616/4885
US-20200216390-A1 PROCESS FOR THE PREPARATION OF ZAFIRLUKAST AND ANALOGS THEREOF CHUK, CTSH, HRH2 ALDH1A1 2602/4885PAX8 4797/4885LMNA 1739/4885

“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.

Send feedback