Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.64 |
| ▸ | RAB9A | P51151 | 7/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.64 |
| ▸ | HPGD | P15428 | 2/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.64 |
| ▸ | MAOB | P27338 | 2/20 | 0.60 |
| ▸ | MAOA | P21397 | 1/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.56 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.54 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.54 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.54 |
| ▸ | DAO | P14920 | 1/20 | 0.54 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.54 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.54 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL506927 | 1.00 | NPC1 (0.64) | NPC1RAB9ASMN1; SMN2HPGDCYP1A2 | |
| SCHEMBL506454 | 0.98 | NPC1 (0.61) | NPC1RAB9ASMN1; SMN2HPGDCYP1A2 | |
| SCHEMBL23959174 | 0.94 | NPC1 (0.58) | NPC1RAB9ASMN1; SMN2HPGDCYP1A2 | |
| SCHEMBL14115713 | 0.92 | PRSS1 (0.60) | NPC1RAB9ASMN1; SMN2HPGDCYP1A2 | |
| Hydrochloric Acid SCHEMBL4332613 | 0.90 | PRSS1 (0.59) | NPC1RAB9ASMN1; SMN2HPGDCYP1A2 | |
| SCHEMBL28928584 | 0.86 | NPC1 (0.82) | NPC1RAB9ASMN1; SMN2HPGDCYP1A2 | |
| SCHEMBL126657 | 0.86 | NPC1 (0.82) | NPC1RAB9ASMN1; SMN2HPGDCYP1A2 | |
| SCHEMBL520877 | 0.86 | NPC1 (0.82) | NPC1RAB9ASMN1; SMN2HPGDCYP1A2 | |
| SCHEMBL7443737 | 0.85 | NPC1 (0.66) | NPC1RAB9ASMN1; SMN2HPGDCYP1A2 | |
| SCHEMBL19912785 | 0.85 | RAB9A (0.63) | NPC1RAB9ASMN1; SMN2HPGDKMT2A |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150313898-A1 | COMPOUNDS THAT INHIBIT HUMAN DNA LIGASES AND METHODS OF TREATING CANCER | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2015-11-05 | — | — | US | disclosed |
| US-9073896-B2 | Compounds that inhibit human DNA ligases and methods of treating cancer | UNIVERSITY OF MARYLAND, BALTIMORE (US) | 2015-07-07 | — | — | US | disclosed |
| US-20140113891-A1 | Compounds that inhibit human DNA ligases and methods of treating cancer | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2014-04-24 | — | — | US | disclosed |
| EP-1720836-B1 | 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS | LILLY CO ELI (US) | 2014-04-16 | — | — | EP | disclosed |
| US-8580780-B2 | 6 substituted 2, 3,4,5 tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonist | ELI LILLY AND COMPANY (US) | 2013-11-12 | — | — | US | disclosed |
| EP-2479168-A1 | 6-Substituted 2,3,4,5-Tetrahydro-1H-Benzo [d]Azepines as 5-HT2C Receptor Agonists | ELI LILLY AND COMPANY (US) | 2012-07-25 | — | — | EP | disclosed |
| US-20120028961-A1 | 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist | ELI LILLY AND COMPANY (US) | 2012-02-02 | — | — | US | disclosed |
| US-8022062-B2 | 6-substituted 2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists | ELI LILLY AND COMPANY (US) | 2011-09-20 | — | — | US | disclosed |
| US-20090099155-A1 | 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS | ARRAY BIOPHARMA, INC. | 2009-04-16 | — | — | 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 (4 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20090099155-A1 | 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS | HTR2C, HTR5A, HTR4 | NPC1 2664/4885RAB9A 3673/4885SMN1; SMN2 1853/4885 |
| US-20150313898-A1 | COMPOUNDS THAT INHIBIT HUMAN DNA LIGASES AND METHODS OF TREATING CANCER | LIG1, LIG4, LIG3 | NPC1 3302/4885RAB9A 3595/4885SMN1; SMN2 3912/4885 |
| US-20140113891-A1 | Compounds that inhibit human DNA ligases and methods of treating cancer | LIG1, LIG4, LIG3 | NPC1 3302/4885RAB9A 3595/4885SMN1; SMN2 3912/4885 |
| US-20120028961-A1 | 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist | HTR2C, HTR4, HTR1A | NPC1 3189/4885RAB9A 1649/4885SMN1; SMN2 2954/4885 |
“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.