SCHEMBL6423829

SCHEMBL6423829

CCCCCOC(=O)C(N)Cc1c[nH]c2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 2/20 0.62
▸ MAPT P10636 3/20 0.61
▸ KDM4E B2RXH2 2/20 0.61
▸ MEN1 O00255 2/20 0.61
▸ LMNA P02545 2/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ MPO P05164 1/20 0.61
▸ TSHR P16473 1/20 0.61
▸ BLM P54132 1/20 0.61
▸ PMP22 Q01453 1/20 0.61
▸ HIF1A Q16665 1/20 0.61
▸ HTR2A P28223 2/20 0.53
▸ ADRB1 P08588 1/20 0.52
▸ HTR1A P08908 1/20 0.52
▸ ADRA2A P08913 1/20 0.52
▸ SLC6A2 P23975 1/20 0.52
▸ HTR1D P28221 1/20 0.52
▸ HTR1B P28222 1/20 0.52
▸ HTR2C P28335 1/20 0.52
▸ HTR1E P28566 1/20 0.52

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
SCHEMBL12966393 1.00 TACR1 (0.62) TACR1MAPTKDM4EMEN1LMNA
SCHEMBL6423830 1.00 TACR1 (0.62) TACR1MAPTKDM4EMEN1LMNA
SCHEMBL28537587 0.99 TACR1 (0.61) TACR1MAPTKDM4EMEN1LMNA
SCHEMBL6240398 0.99 TACR1 (0.61) TACR1MAPTKDM4EMEN1LMNA
SCHEMBL16278133 0.99 TACR1 (0.61) TACR1MAPTKDM4EMEN1LMNA
SCHEMBL6243067 0.99 TACR1 (0.61) TACR1MAPTKDM4EMEN1LMNA
SCHEMBL1720662 0.99 TACR1 (0.61) TACR1MAPTKDM4EMEN1LMNA
SCHEMBL12966390 0.99 TACR1 (0.61) TACR1MAPTKDM4EMEN1LMNA
SCHEMBL6240394 0.99 TACR1 (0.61) TACR1MAPTKDM4EMEN1LMNA
SCHEMBL6243285 0.99 TACR1 (0.61) TACR1MAPTKDM4EMEN1LMNA

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
US-9949952-B2 Methods and compositions for transdermal delivery SPRAYABLE HOLDINGS, INC. (US) 2018-04-24 — — US disclosed
US-20150258065-A1 METHODS AND COMPOSITIONS FOR TRANSDERMAL DELIVERY SPRAYABLE HOLDINGS, INC. 2015-09-17 — — US disclosed
US-6841555-B2 Lavendamycin analogs, quinoline-5,8-diones and methods of using them BALL STATE UNIVERSITY (US) 2005-01-11 — — US disclosed
US-20040248922-A1 LAVENDAMYCIN ANALOGS, QUINOLINE-5,8-DIONES AND METHODS OF USING THEM BALL STATE UNIVERSITY 2004-12-09 — — US disclosed
US-6444684-B1 ANTIBIOTIC AND ANTI-HIV REVERSE TRANSCRIPTASE (HIV-RT) ACTIVITY; TREATING HIV INFECTION AND ALSO WITH AZT; ANTITUMOR BALL STATE UNIVERSITY 2002-09-03 — — US disclosed
US-6030983-A ANTITUMOR AND -CARCINOGENIC AGENTS; ANTIBIOTICS; BACTERICIDES; VIRICIDES; PARACITICIDES; ENZYME INHIBITORS; POLYMERASES; FARNESYL-PROTEIN TRANSFERASE; RAS PROTEINS BALL STATE UNIVERSITY (US) 2000-02-29 — — US disclosed
US-5712289-A ANTITUMOR AGENTS, INTERMEDIATES FOR LAVENDAMYCINS BALL STATE UNIVERSITY (US) 1998-01-27 — — US disclosed
EP-0701557-A4 LAVENDAMYCIN ANALOGS, THEIR USE AND PREPARATION BEHFOROUZ MOHAMMAD (US) 1997-07-09 — — EP disclosed
US-5646150-A ADMINISTERING AS ANTITUMOR AGENT, ANTIPROTOZOA AGENT, VIRICIDE, PARASITICIDE, OR BACTERICIDE BALL STATE UNIVERSITY (US) 1997-07-08 — — US disclosed
US-5525611-A ANTITUMOR AGENT, BACTERICIDES, VIRICIDES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 1996-06-11 — — US disclosed
EP-0701557-A1 LAVENDAMYCIN ANALOGS, THEIR USE AND PREPARATION BEHFOROUZ, Mohammad (US) 1996-03-20 — — EP disclosed
WO-1994029308-A1 LAVENDAMYCIN ANALOGS, THEIR USE AND PREPARATION BEHFOROUZ MOHAMMAD (US) 1994-12-22 — — 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 (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-20150258065-A1 METHODS AND COMPOSITIONS FOR TRANSDERMAL DELIVERY MTNR1A, MTNR1B, CYP27B1 TACR1 1032/4885MAPT 2224/4885KDM4E 2385/4885
US-20040248922-A1 LAVENDAMYCIN ANALOGS, QUINOLINE-5,8-DIONES AND METHODS OF USING THEM LSS, CYP51A1, COX5A TACR1 4381/4885MAPT 4560/4885KDM4E 1085/4885

“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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