SCHEMBL4602597

SCHEMBL4602597

COC(=O)[C@@H](N)CCCCN(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.39
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
ZDHHC7 Q9NXF8 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
KDM4A O75164 6/20 0.35
KDM4C Q9H3R0 6/20 0.35
KDM5A P29375 1/20 0.35
KDM7A Q6ZMT4 1/20 0.35
PHF8 Q9UPP1 1/20 0.35
KDM2A Q9Y2K7 1/20 0.35
GAA P10253 1/20 0.35
GSR P00390 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34

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
SCHEMBL4602594 1.00 LTA4H (0.39) LTA4HNOS3NOS1NOS2ZDHHC7
Hydrochloric Acid SCHEMBL5967458 0.98 LTA4H (0.38) LTA4HNOS3NOS1NOS2ZDHHC7
SCHEMBL4602287 0.94 NOS2 (0.42) LTA4HNOS3NOS1NOS2ZDHHC7
SCHEMBL4602289 0.94 NOS2 (0.42) LTA4HNOS3NOS1NOS2ZDHHC7
SCHEMBL4603026 0.86 LTA4H (0.41) LTA4HNOS3NOS1NOS2CA1
SCHEMBL2446304 0.86 LTA4H (0.41) LTA4HNOS3NOS1NOS2CA1
SCHEMBL16330498 0.86 ZDHHC7 (0.45) LTA4HNOS3NOS1NOS2ZDHHC7
Hydrochloric Acid SCHEMBL2445583 0.85 LTA4H (0.40) LTA4HCA1CA2CHRM2CHRM4
Hydrochloric Acid SCHEMBL2445581 0.85 LTA4H (0.40) LTA4HCA1CA2CHRM2CHRM4
SCHEMBL27405459 0.84 ZDHHC7 (0.48) LTA4HNOS3NOS1NOS2ZDHHC7

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
US-20170143846-A1 TARGETED PYRROLOBENZODIAZAPINE CONJUGATES SPIROGEN LIMITED (GB) 2017-05-25 US disclosed
US-9592240-B2 Targeted pyrrolobenzodiazapine conjugates SEATTLE GENETICS INC. (US) 2017-03-14 US disclosed
US-20160129013-A1 TARGETED PYRROLOBENZODIAZAPINE CONJUGATES SEAGEN INC. 2016-05-12 US disclosed
US-9242013-B2 Targeted pyrrolobenzodiazapine conjugates SEATTLE GENETICS INC. (US) 2016-01-26 US disclosed
US-20130028919-A1 TARGETED PYRROLOBENZODIAZAPINE CONJUGATES SPIROGEN DEVELOPMENTS SÀRL (CH) 2013-01-31 US disclosed
EP-1924568-A1 QUINAZOLINE DERIVATIVES USEFUL IN CANCER TREATMENT SCHERING CORPORATION (US) 2008-05-28 EP disclosed
EP-1915351-A1 QUINAZOLINE DERIVATIVES USEFUL IN CANCER TREATMENT SCHERING CORPORATION (US) 2008-04-30 EP disclosed
US-20070032502-A1 Quinazoline derivatives useful in cancer treatment SCHERING CORPORATION 2007-02-08 US disclosed
US-20070032502-A1 Quinazoline derivatives useful in cancer treatment SCHERING CORPORATION 2007-02-08 US disclosed
US-20070032502-A1 Quinazoline derivatives useful in cancer treatment SCHERING CORPORATION 2007-02-08 US disclosed
WO-2007011623-A1 QUINAZOLINE DERIVATIVES USEFUL IN CANCER TREATMENT SCHERING CORPORATION (US) 2007-01-25 WO disclosed
WO-2007011623-A1 QUINAZOLINE DERIVATIVES USEFUL IN CANCER TREATMENT SCHERING CORPORATION (US) 2007-01-25 WO disclosed
WO-2007011618-A1 QUINAZOLINE DERIVATIVES USEFUL IN CANCER TREATMENT SCHERING CORPORATION (US) 2007-01-25 WO disclosed
WO-2007011618-A1 QUINAZOLINE DERIVATIVES USEFUL IN CANCER TREATMENT SCHERING CORPORATION (US) 2007-01-25 WO disclosed
US-20070015774-A1 Quinazoline derivatives useful in cancer treatment SCHERING CORPORATION 2007-01-18 US disclosed
US-20070015774-A1 Quinazoline derivatives useful in cancer treatment SCHERING CORPORATION 2007-01-18 US disclosed
US-20070015774-A1 Quinazoline derivatives useful in cancer treatment SCHERING CORPORATION 2007-01-18 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 (5 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-20160129013-A1 TARGETED PYRROLOBENZODIAZAPINE CONJUGATES QDPR, SBDS, DNPEP LTA4H 2114/4885NOS3 4746/4885NOS1 4841/4885
US-20170143846-A1 TARGETED PYRROLOBENZODIAZAPINE CONJUGATES QDPR, SBDS, DNPEP LTA4H 2114/4885NOS3 4746/4885NOS1 4841/4885
US-20070015774-A1 Quinazoline derivatives useful in cancer treatment TP53, TP53BP1, ACIN1 LTA4H 3546/4885NOS3 1034/4885NOS1 2160/4885
US-20070032502-A1 Quinazoline derivatives useful in cancer treatment TP53, ACIN1, TP53BP1 LTA4H 4282/4885NOS3 898/4885NOS1 1779/4885
US-20130028919-A1 TARGETED PYRROLOBENZODIAZAPINE CONJUGATES QDPR, SBDS, DNPEP LTA4H 2114/4885NOS3 4746/4885NOS1 4841/4885

“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.