SCHEMBL1366769

SCHEMBL1366769

COc1cc(Br)nc(-c2ccccn2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.58
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
RUNX1 Q01196 1/20 0.49
CRHR1 P34998 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
PKM P14618 2/20 0.47
GRM5 P41594 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
CCR1 P32246 4/20 0.46
CCR5 P51681 4/20 0.46
CCR8 P51685 4/20 0.46
LMNA P02545 3/20 0.45
KDM4E B2RXH2 2/20 0.45
METAP1 P53582 2/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
BLM P54132 1/20 0.45
HIF1A Q16665 1/20 0.45
DOHH Q9BU89 1/20 0.45

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
SCHEMBL197885 0.88 HSP90AA1 (0.66) HSP90AA1NPC1RAB9ARUNX1CRHR1
SCHEMBL7241847 0.82 ALDH1A1 (0.46) HSP90AA1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL4735238 0.82 HSP90AA1 (0.59) HSP90AA1NPC1RAB9ARUNX1CRHR1
SCHEMBL14615313 0.81 HSP90AA1 (0.58) HSP90AA1NPC1RAB9ARUNX1CRHR1
SCHEMBL6130670 0.79 HSP90AA1 (0.56) HSP90AA1NPC1RAB9ARUNX1SMN1; SMN2
SCHEMBL7766604 0.78 NPC1 (0.51) HSP90AA1NPC1RAB9ARUNX1SMN1; SMN2
Dipyridyl SCHEMBL9014402 0.78 CCR1 (0.77) HSP90AA1NPC1RAB9ARUNX1SMN1; SMN2
Dipyridyl SCHEMBL9014122 0.78 CCR1 (0.77) HSP90AA1NPC1RAB9ARUNX1SMN1; SMN2
SCHEMBL2711382 0.78 CCR1 (0.77) HSP90AA1NPC1RAB9ARUNX1SMN1; SMN2
SCHEMBL8513636 0.77 HSP90AA1 (0.54) HSP90AA1NPC1RAB9ARUNX1CRHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1909912-B1 Use of collismycin A as oxidative stress inhibitor NOSCIRA SA (ES) 2012-06-06 EP disclosed
EP-1909912-B1 Use of collismycin A as oxidative stress inhibitor NOSCIRA SA (ES) 2012-06-06 EP disclosed
EP-2444121-A1 Use of collismycin and derivatives thereof as oxidative stress inhibitors Noscira, S.A. (ES) 2012-04-25 EP disclosed
EP-2444121-A1 Use of collismycin and derivatives thereof as oxidative stress inhibitors Noscira, S.A. (ES) 2012-04-25 EP disclosed
US-8067441-B2 Use of collismycin and derivatives thereof as oxidative stress inhibitors NEUROPHARMA, S.A. (ES) 2011-11-29 US disclosed
US-8067441-B2 Use of collismycin and derivatives thereof as oxidative stress inhibitors NEUROPHARMA, S.A. (ES) 2011-11-29 US disclosed
US-8067441-B2 Use of collismycin and derivatives thereof as oxidative stress inhibitors NEUROPHARMA, S.A. (ES) 2011-11-29 US disclosed
US-20100048635-A2 USE OF COLLISMYCIN AND DERIVATIVES THEREOF AS OXIDATIVE STRESS INHIBITORS NEUROPHARMA, S.A. (ES) 2010-02-25 US disclosed
US-20100048635-A2 USE OF COLLISMYCIN AND DERIVATIVES THEREOF AS OXIDATIVE STRESS INHIBITORS NEUROPHARMA, S.A. (ES) 2010-02-25 US disclosed
US-20100048635-A2 USE OF COLLISMYCIN AND DERIVATIVES THEREOF AS OXIDATIVE STRESS INHIBITORS NEUROPHARMA, S.A. (ES) 2010-02-25 US disclosed
US-20080275088-A1 Use of Collismycin and Derivatives Thereof as Oxidative Stress Inhibitors NEUROPHARMA, S.A. (ES) 2008-11-06 US disclosed
US-20080275088-A1 Use of Collismycin and Derivatives Thereof as Oxidative Stress Inhibitors NEUROPHARMA, S.A. (ES) 2008-11-06 US disclosed
US-20080275088-A1 Use of Collismycin and Derivatives Thereof as Oxidative Stress Inhibitors NEUROPHARMA, S.A. (ES) 2008-11-06 US disclosed
EP-1909912-A2 USE OF COLLISMYCIN AND DERIVATIVES THEREOF AS OXIDATIVE STRESS INHIBITORS Neuropharma S.A. (ES) 2008-04-16 EP disclosed
WO-2007017146-A2 USE OF COLLISMYCIN AND DERIVATIVES THEREOF AS OXIDATIVE STRESS INHIBITORS NEUROPHARMA, S.A. (ES) 2007-02-15 WO disclosed
WO-2007017146-A2 USE OF COLLISMYCIN AND DERIVATIVES THEREOF AS OXIDATIVE STRESS INHIBITORS NEUROPHARMA, S.A. (ES) 2007-02-15 WO disclosed
EP-1749552-A1 Use of collismycin and derivatives thereof as oxidative stress inhibitors Neuropharma S.A. (ES) 2007-02-07 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 (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-20100048635-A2 USE OF COLLISMYCIN AND DERIVATIVES THEREOF AS OXIDATIVE STRESS INHIBITORS PARK7, HSPA9, NLN HSP90AA1 179/4885NPC1 311/4885RAB9A 1201/4885
US-20080275088-A1 Use of Collismycin and Derivatives Thereof as Oxidative Stress Inhibitors PARK7, HSPA9, NLN HSP90AA1 179/4885NPC1 311/4885RAB9A 1201/4885

“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.