SCHEMBL14039080

SCHEMBL14039080

COc1ccc(-n2c3ccccc3c3ccccc32)cc1-c1c(F)ccc(F)c1-c1cc(-n2c3ccccc3c3ccccc32)ccc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ALDH1A1 P00352 5/20 0.38
▸ LMNA P02545 3/20 0.38
▸ PKM P14618 1/20 0.38
▸ TUBB4A P04350 3/20 0.38
▸ TUBB P07437 3/20 0.38
▸ TUBA3C P0DPH7 3/20 0.38
▸ TUBA1B P68363 3/20 0.38
▸ TUBA4A P68366 3/20 0.38
▸ TUBB4B P68371 3/20 0.38
▸ TUBB3 Q13509 3/20 0.38
▸ TUBB2A Q13885 3/20 0.38
▸ TUBB8 Q3ZCM7 3/20 0.38
▸ TUBA3E Q6PEY2 3/20 0.38
▸ TUBA1A Q71U36 3/20 0.38
▸ TUBA1C Q9BQE3 3/20 0.38
▸ TUBB6 Q9BUF5 3/20 0.38
▸ TUBB2B Q9BVA1 3/20 0.38
▸ TUBB1 Q9H4B7 3/20 0.38

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
SCHEMBL12811422 0.88 TUBB4A (0.40) MAPK1SMN1; SMN2ALDH1A1LMNAPKM
SCHEMBL12811246 0.87 TUBB4A (0.39) MAPK1SMN1; SMN2ALDH1A1LMNAPKM
SCHEMBL14039078 0.84 CTSB (0.42) MAPK1SMN1; SMN2ALDH1A1LMNAPKM
SCHEMBL14039053 0.82 MAPT (0.36) SMN1; SMN2ALDH1A1LMNAPKMTDP1
SCHEMBL12811624 0.73 CTSB (0.36) MAPK1SMN1; SMN2ALDH1A1LMNAPKM
SCHEMBL12811429 0.73 CTSB (0.36) MAPK1SMN1; SMN2ALDH1A1LMNAPKM
SCHEMBL12811684 0.73 CTSB (0.43) MAPK1SMN1; SMN2ALDH1A1LMNAPKM
SCHEMBL28001656 0.73 SMN1; SMN2 (0.47) MAPK1SMN1; SMN2ALDH1A1LMNAL3MBTL1
SCHEMBL12811693 0.73 CTSB (0.42) MAPK1SMN1; SMN2ALDH1A1LMNAPKM
SCHEMBL17706814 0.71 ALDH1A1 (0.46) ALDH1A1LMNATUBB4ATUBBTUBA3C

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 4 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

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 MAPK1 2186/4885SMN1; SMN2 4618/4885ALDH1A1 1594/4885

“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