SCHEMBL5732900

SCHEMBL5732900

O=[N+]([O-])c1cc(OCc2ccccc2)ccc1CCBr

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ ATM Q13315 1/20 0.50
▸ MAOB P27338 3/20 0.47
▸ AR P10275 1/20 0.47
▸ TDO2 P48775 1/20 0.47
▸ BACE1 P56817 1/20 0.47
▸ CTSV O60911 2/20 0.46
▸ CTSL P07711 2/20 0.46
▸ TLR4 O00206 1/20 0.46
▸ TLR2 O60603 1/20 0.46
▸ MAOA P21397 1/20 0.46
▸ PTGES O14684 1/20 0.45
▸ ALOX5 P09917 1/20 0.45
▸ MAPT P10636 2/20 0.45
▸ PIN1 Q13526 2/20 0.43

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
SCHEMBL30954335 0.86 CYP4F2 (0.55) MEN1KMT2ANPC1RAB9AATM
SCHEMBL5734037 0.86 CYP4F2 (0.55) MEN1KMT2ANPC1RAB9AATM
SCHEMBL5734529 0.86 MEN1 (0.50) MEN1KMT2ANPC1RAB9AATM
SCHEMBL27189538 0.86 MEN1 (0.50) MEN1KMT2ANPC1RAB9AATM
SCHEMBL8837186 0.85 MEN1 (0.51) MEN1KMT2ANPC1RAB9AATM
SCHEMBL27544439 0.85 MEN1 (0.51) MEN1KMT2ANPC1RAB9AATM
SCHEMBL26604899 0.85 MEN1 (0.51) MEN1KMT2ANPC1RAB9AATM
SCHEMBL30832846 0.83 MEN1 (0.57) MEN1KMT2ANPC1RAB9AATM
SCHEMBL1663438 0.83 MEN1 (0.57) MEN1KMT2ANPC1RAB9AATM
SCHEMBL30024032 0.83 CYP1A2 (0.56) MEN1KMT2ANPC1RAB9AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1315805-C Compositions and methods of use thereof achiral analogues of CC-1065 and duocarmycins TAIHO PHARMACEUTICAL CO LTD (GB) 2007-05-16 — — CN disclosed
EP-1320522-B8 COMPOSITIONS AND METHODS OF THE USE THEREOF ACHIRAL ANALOGUES OF CC-1065 AND THE DUOCARMYCINS LEE MOSES (US) 2006-02-01 — — EP disclosed
EP-1320522-B1 COMPOSITIONS AND METHODS OF THE USE THEREOF ACHIRAL ANALOGUES OF CC-1065 AND THE DUOCARMYCINS TAIHO PHARMACEUTICAL CO LTD (JP) 2005-11-23 — — EP disclosed
CN-1461298-A Compositions and methods of use thereof achiral analogues of CC-1065 and duocarmycins TAIHO PHARMACEUTICAL CO LTD (JP) 2003-12-10 — — CN disclosed
US-6660742-B2 Alkylation therapy; anticancer agent TAIHO PHARMACEUTICAL CO. LTD. (JP) 2003-12-09 — — US disclosed
EP-1320522-A2 COMPOSITIONS AND METHODS OF THE USE THEREOF ACHIRAL ANALOGUES OF CC-1065 AND THE DUOCARMYCINS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2003-06-25 — — EP disclosed
US-20030073731-A1 Compositions and methods of the use thereof achiral analogues of CC-1065 and the duocarmycins MEDIMMUNE LIMITED (GB) 2003-04-17 — — US disclosed
WO-2002030894-A2 COMPOSITIONS AND METHODS OF THE USE THEREOF ACHIRAL ANALOGUES OF CC-1065 AND THE DUOCARMYCINS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2002-04-18 — — WO 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-20030073731-A1 Compositions and methods of the use thereof achiral analogues of CC-1065 and the duocarmycins DDB1, ERCC2, SSU72 MEN1 1970/4885KMT2A 3055/4885NPC1 2541/4885

“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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