SCHEMBL12811693

SCHEMBL12811693

O=[N+]([O-])c1ccc(-n2c3ccccc3c3ccccc32)cc1-c1cc(-c2cc(-n3c4ccccc4c4ccccc43)ccc2O)c(F)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 2/20 0.42
▸ MAPT P10636 10/20 0.40
▸ CASP6 P55212 4/20 0.40
▸ POLB P06746 2/20 0.40
▸ APEX1 P27695 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.37
▸ LMNA P02545 4/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ TDP1 Q9NUW8 3/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ BRD4 O60885 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ ADRA2B P18089 1/20 0.37
▸ ADRA2C P18825 1/20 0.37
▸ CHRM3 P20309 1/20 0.37

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
SCHEMBL12811684 0.97 CTSB (0.43) CTSBMAPTCASP6POLBAPEX1
SCHEMBL14039078 0.86 CTSB (0.42) CTSBMAPTCASP6POLBAPEX1
SCHEMBL12811624 0.85 CTSB (0.36) CTSBMAPTCASP6POLBALDH1A1
SCHEMBL12811246 0.84 TUBB4A (0.39) MAPTALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL12811429 0.83 CTSB (0.36) CTSBMAPTCASP6POLBALDH1A1
SCHEMBL12811346 0.82 CTSB (0.40) CTSBMAPTCASP6POLBAPEX1
SCHEMBL12811422 0.80 TUBB4A (0.40) MAPTALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL12811692 0.80 KDM4E (0.36) POLBSMN1; SMN2KDM4ETDP1BRD4
SCHEMBL28446443 0.77 KDM4E (0.52) MAPTPOLBALDH1A1KDM4EHSP90AA1
SCHEMBL14039053 0.76 MAPT (0.36) CTSBMAPTCASP6POLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130020563-A1 POLYCYCLIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2013-01-24 — — US disclosed
US-20130020563-A1 POLYCYCLIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2013-01-24 — — US disclosed
US-8318323-B2 Polycyclic compounds and organic electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2012-11-27 — — US disclosed
US-8318323-B2 Polycyclic compounds and organic electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2012-11-27 — — US disclosed
EP-2301921-A1 POLYCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME Idemitsu Kosan Co., Ltd. (JP) 2011-03-30 — — 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 (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-20130020563-A1 POLYCYCLIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME KCNC1, EED, BMI1 CTSB 2954/4885MAPT 1303/4885CASP6 1664/4885

“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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