SCHEMBL12811422

SCHEMBL12811422

COc1ccc(-n2c3ccccc3c3ccccc32)cc1-c1cc(F)c(-c2cc(-n3c4ccccc4c4ccccc43)ccc2[N+](=O)[O-])cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB4A P04350 5/20 0.40
▸ TUBB P07437 5/20 0.40
▸ TUBA3C P0DPH7 5/20 0.40
▸ TUBA1B P68363 5/20 0.40
▸ TUBA4A P68366 5/20 0.40
▸ TUBB4B P68371 5/20 0.40
▸ TUBB3 Q13509 5/20 0.40
▸ TUBB2A Q13885 5/20 0.40
▸ TUBB8 Q3ZCM7 5/20 0.40
▸ TUBA3E Q6PEY2 5/20 0.40
▸ TUBA1A Q71U36 5/20 0.40
▸ TUBA1C Q9BQE3 5/20 0.40
▸ TUBB6 Q9BUF5 5/20 0.40
▸ TUBB2B Q9BVA1 5/20 0.40
▸ TUBB1 Q9H4B7 5/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ALDH1A1 P00352 6/20 0.39
▸ LMNA P02545 3/20 0.39
▸ PKM P14618 1/20 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
SCHEMBL12811246 0.97 TUBB4A (0.39) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL14039080 0.88 MAPK1 (0.38) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL12811429 0.83 CTSB (0.36) MAPK1SMN1; SMN2ALDH1A1LMNAPKM
SCHEMBL12811684 0.83 CTSB (0.43) MAPK1SMN1; SMN2ALDH1A1LMNAPKM
SCHEMBL12811624 0.81 CTSB (0.36) MAPK1SMN1; SMN2ALDH1A1LMNAPKM
SCHEMBL12811693 0.80 CTSB (0.42) MAPK1SMN1; SMN2ALDH1A1LMNAPKM
SCHEMBL14039053 0.74 MAPT (0.36) SMN1; SMN2ALDH1A1LMNAPKMTDP1
SCHEMBL17706814 0.74 ALDH1A1 (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL16997296 0.74 CTSB (0.40) MAPK1ALDH1A1LMNAPKMTDP1
SCHEMBL14039078 0.73 CTSB (0.42) MAPK1SMN1; SMN2ALDH1A1LMNAPKM

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 TUBB4A 1285/4885TUBB 1911/4885TUBA3C 1187/4885

“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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