SCHEMBL5625543

SCHEMBL5625543

NC(=O)c1ccc2cc(Cl)ccc2n1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 4/20 0.47
▸ LMNA P02545 1/20 0.46
▸ CNR2 P34972 1/20 0.45
▸ FAAH O00519 1/20 0.44
▸ HTR3A P46098 1/20 0.43
▸ HRH4 Q9H3N8 1/20 0.43
▸ PTPN1 P18031 1/20 0.43
▸ MAPT P10636 1/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ PIM1 P11309 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.40
▸ SCN9A Q15858 1/20 0.40
▸ METAP2 P50579 1/20 0.40

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
SCHEMBL740617 0.84 MGAM (0.56) LMNACNR2HTR3AHRH4MAPT
SCHEMBL2157877 0.79 BACE1 (0.39) CNR2HTR3AHRH4MAPTBACE1
SCHEMBL2157873 0.79 BACE1 (0.39) CNR2HTR3AHRH4MAPTBACE1
SCHEMBL8007815 0.79 NCK1 (0.55) GRM2PTPN1BACE1PIM1
SCHEMBL31733680 0.79 BACE1 (0.55) GRM2PTPN1MAPTBACE1PIM1
SCHEMBL16093684 0.79 BACE1 (0.55) GRM2PTPN1BACE1PIM1HDAC1
SCHEMBL28071638 0.78 RXFP1 (0.56) CNR2KDM4E
Hydrochloric Acid SCHEMBL31733671 0.77 BACE1 (0.53) GRM2PTPN1MAPTBACE1PIM1
SCHEMBL1668204 0.77 TDP1 (0.46) CNR2PTPN1MAPTPIM1KDM4E
SCHEMBL4986476 0.76 PIM1 (0.42) GRM2LMNAPTPN1MAPTPIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023231948-A1 ISR INHIBITORS, METHOD FOR PREPARING SAME, AND USE THEREOF 中国药科大学 2023-12-07 — — WO disclosed
CN-116768877-A ISR inhibitor and preparation method and application thereof 中国药科大学 2023-09-19 — — CN disclosed
CN-104447540-A Synthetic method of primary aryl amide compounds UNIV HUNAN 2015-03-25 — — CN disclosed
EP-2431370-B1 Monoacylated 1,2-diaminocycloalkanes DAIICHI SANKYO CO LTD (JP) 2013-06-19 — — EP disclosed
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 — — EP disclosed
US-20070112008-A1 Saframycins, analogues and uses thereof MYERS ANDREW G 2007-05-17 — — US disclosed
US-7122549-B2 Saframycins, analogues and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2006-10-17 — — US disclosed
US-6809099-B2 FOR THERAPY OF CANCER PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2004-10-26 — — US disclosed
US-20040204419-A1 Saframycins, analogues and uses thereof MYERS ANDREW G (US) 2004-10-14 — — US disclosed
EP-1339713-A2 SAFRAMYCINS, ANALOGUES AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2003-09-03 — — EP disclosed
US-20030008873-A1 Saframycins, analogues and uses thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-01-09 — — US disclosed
WO-2002040477-A2 SAFRAMYCINS, ANALOGUES AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2002-05-23 — — 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 (3 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-20040204419-A1 Saframycins, analogues and uses thereof MYC, MAN1B1, MRPS18A GRM2 4458/4885LMNA 1758/4885CNR2 2673/4885
US-20070112008-A1 Saframycins, analogues and uses thereof MYC, MAN1B1, MRPS18A GRM2 4510/4885LMNA 1818/4885CNR2 2627/4885
US-20030008873-A1 Saframycins, analogues and uses thereof MYC, MAN1B1, MRPS18A GRM2 4458/4885LMNA 1758/4885CNR2 2673/4885

“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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