SCHEMBL6232344

SCHEMBL6232344

CC(NC(=S)Nc1ccccn1)c1ccccn1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
LMNA P02545 2/20 0.57
ALOX12 P18054 4/20 0.56
KDM4E B2RXH2 1/20 0.56
NPSR1 Q6W5P4 7/20 0.52
RAB9A P51151 7/20 0.51
NPC1 O15118 4/20 0.51
KMT2A Q03164 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 2/20 0.49
POLB P06746 1/20 0.49
MIF P14174 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.48
PKM P14618 1/20 0.48

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
SCHEMBL6955501 0.86 LTC4S (0.63) ALDH1A1LMNAALOX12KDM4ENPSR1
SCHEMBL6953534 0.85 RAB9A (0.50) ALDH1A1LMNAALOX12KDM4ENPSR1
SCHEMBL6963003 0.85 ALDH1A1 (0.54) ALDH1A1LMNAALOX12KDM4ERAB9A
SCHEMBL7845144 0.85 SMN1; SMN2 (0.50) ALDH1A1LMNAALOX12NPSR1RAB9A
SCHEMBL6963618 0.80 CYP1A2 (0.50) ALDH1A1LMNAKDM4ERAB9ANPC1
SCHEMBL6284560 0.80 NPC1 (0.56) ALDH1A1LMNANPSR1RAB9ANPC1
SCHEMBL2682040 0.78 RAB9A (0.71) ALDH1A1LMNAALOX12KDM4ENPSR1
SCHEMBL10872503 0.75 KDM4E (0.41) ALDH1A1LMNAALOX12KDM4ENPSR1
SCHEMBL4364365 0.75 NPSR1 (0.63) ALDH1A1LMNAALOX12KDM4ENPSR1
SCHEMBL6959647 0.73 ALDH1A1 (0.53) ALDH1A1LMNAALOX12KDM4ENPSR1

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-1064263-B1 NONNUCLEOSIDE INHIBITORS OF REVERSE TRANSCRIPTASE FOR THE TREATMENT OF HIV-INFECTION PARKER HUGHES INST (US) 2005-12-07 EP disclosed
US-6925388-B1 Heterocyclic nonnucleoside inhibitors of reverse transcriptase PARKER HUGHES INSTITUTE (US) 2005-08-02 US disclosed
US-20050153995-A1 Nonnucleoside inhibitors of reverse transcriptase, composite binding pocket and methods for use thereof PARKER HUGHES INSTITUTE (US) 2005-07-14 US disclosed
EP-1528057-A1 Nonnucleoside inhibitors of reverse transcriptase for the treatment of HIV infection Parker Hughes Institute (US) 2005-05-04 EP disclosed
EP-1194427-B1 THIOPHENE-ETHYL THIOUREA COMPOUNDS AND USE IN THE TREATMENT OF HIV PARKER HUGHES INST (US) 2003-03-05 EP disclosed
US-6380190-B1 ALSO INHIBIT REPLICATION OF RETROVIRUS SUCH AS HUMAN IMMUNODEFICIENCY VIRUS-1 PARKER HUGHES INSTITUTE 2002-04-30 US disclosed
EP-1194427-A1 THIOPHENE-ETHYL THIOUREA COMPOUNDS AND USE IN THE TREATMENT OF HIV Parker Hughes Institute (US) 2002-04-10 EP disclosed
US-6300351-B1 FOR INHIBITING HUMAN IMMUNODEFICIENCY VIRUS-1 (HIV-1) REVERSE TRANSCRIPTASE PARKER HUGHES INSTITUTE 2001-10-09 US disclosed
US-6180654-B1 THERAPY FOR HUMAN IMMUNODEFICIENCY VIRUS; RETROVIRUS WAYNE HUGHES INSTITUTE 2001-01-30 US disclosed
EP-1064263-A2 NONNUCLEOSIDE INHIBITORS OF REVERSE TRANSCRIPTASE FOR THE TREATMENT OF HIV-INFECTION Parker Hughes Institute (US) 2001-01-03 EP disclosed
WO-2000078756-A1 THIOPHENE-ETHYL THIOUREA COMPOUNDS AND THEIR USE IN THE TREATMENT OF HIV PARKER HUGHES INSTITUTE (US) 2000-12-28 WO disclosed
WO-2000078755-A1 THIOPHENE-ETHYL THIOUREA COMPOUNDS AND USE IN THE TREATMENT OF HIV PARKER HUGHES INSTITUTE (US) 2000-12-28 WO disclosed
US-6156759-A Nonnucleoside inhibitors of reverse transcriptase, composite binding pocket and method for use thereof PARKER HUGHES INSTITUTE (US) 2000-12-05 US disclosed
US-6124307-A INHIBIT REPLICATION OF RETROVIRUS, SUCH AS HUMAN IMMUNODEFICIENCY VIRUS-1 WAYNE HUGHES INSTITUTE (US) 2000-09-26 US disclosed
US-6124324-A AN ENZYME INHIBITOR OF REVERSE TRANSCRIPTASE FOR THE TREATMENT OF HIV INFECTION, INCLUDING MUTANT, DRUG-SENSITIVE, DRUG-RESISTANT, AND MULTI-DRUG RESISTANT STRAINS OF HIV HUGHES INSTITUTE (US) 2000-09-26 US disclosed
US-5998411-A VIRICIDES HUGHES INSTITUTE (US) 1999-12-07 US disclosed
WO-1999047501-A2 NONNUCLEOSIDE INHIBITORS OF REVERSE TRANSCRIPTASE FOR THE TREATMENT OF HIV-INFECTION PARKER HUGHES INSTITUTE (US) 1999-09-23 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 (1 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-20050153995-A1 Nonnucleoside inhibitors of reverse transcriptase, composite binding pocket and methods for use thereof DNTT, NUDT1, NAPRT ALDH1A1 2019/4885LMNA 4379/4885ALOX12 1503/4885

“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.