SCHEMBL6300080

SCHEMBL6300080

CCc1c(Sc2ccccc2)[nH]c(=O)[nH]c1=O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DHFR P00374 4/20 0.48
TYMP P19971 2/20 0.41
NR3C1 P04150 2/20 0.40
TYMS P04818 1/20 0.39
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTT P42858 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
RPA1 P27694 1/20 0.35
GLA P06280 1/20 0.35
DHODH Q02127 1/20 0.35

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
SCHEMBL8080258 0.81 ALDH1A1 (0.36) DHFRTYMPNR3C1TYMSKDM4E
SCHEMBL6086721 0.81 TYMP (0.37) DHFRTYMPNR3C1KDM4EALDH1A1
SCHEMBL7104065 0.79 KDM4E (0.39) DHFRTYMPTYMSKDM4EALDH1A1
SCHEMBL7070893 0.75 DHFR (0.47) DHFRTYMPTYMSKDM4EALDH1A1
SCHEMBL5197218 0.70 TYMP (0.57) TYMPNR3C1KDM4EALDH1A1
SCHEMBL9009417 0.69 LMNA (0.47) DHFRKDM4EALDH1A1POLB
SCHEMBL9009424 0.69 DHFR (0.39) DHFRALDH1A1
SCHEMBL8582935 0.69 TYMP (0.45) DHFRTYMPKDM4EALDH1A1HSD17B10
SCHEMBL4130012 0.69 TYMP (0.41) TYMPNR3C1KDM4EALDH1A1POLB
SCHEMBL10857095 0.69 TYMP (0.59) TYMPNR3C1KDM4EALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0639971-A1 THERAPEUTIC COMBINATIONS THE WELLCOME FOUNDATION LIMITED (GB) 1995-03-01 EP claimed
WO-1993023021-A2 THERAPEUTIC COMBINATIONS THE WELLCOME FOUNDATION LIMITED (GB) 1993-11-25 WO claimed
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
EP-0736015-B1 ANTIVIRAL 2,4-PYRIMIDINDIONE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF KOREA RES INST CHEM TECH (KR) 2001-03-07 EP disclosed
US-6177435-B1 DETECTING ZIDOVUDINE RESISTANCE; ADMINISTERING 2',3'-DIDEOXY-5-FLUORO-3'-THIACYTIDINE; ALTERNATING DRUG CYCLES GLAXO WELLCOME INC. 2001-01-23 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-5922727-A 1-((SUBSTITUTED)CYCLOALK(EN)YLALKYL)-6-((SUB)PHENYL(CARBONYL, SULFIDE, OR OXO))-2,4-PYRIMIDINEDIONE DERIVATIVES HAVING SUPERIOR ANTIVIRAL ACTIVITIES; HIV SAMJIN PHARMACEUTICAL CO., LTD (KR) 1999-07-13 US disclosed
EP-0914824-A1 PREVENTIVE AND REMEDY FOR VIRAL INFECTIONS Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1999-05-12 EP disclosed
US-5747500-A VIRICIDES FOR AIDS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1998-05-05 US disclosed
US-5733904-A USING A SULFONAMIDE CONTAINING ISOQUINOLINE COMPOUND ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1998-03-31 US disclosed
EP-0827498-A1 NEW ANTIVIRAL SUBSTITUTED PYRIMIDINEDIONE HOMOCARBOCYCLIC NUCLEOSIDE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING THE SAME AS ACTIVE INGREDIENTS Samjin Pharmaceutical Co., Ltd. (KR) 1998-03-11 EP disclosed
WO-1997030979-A1 NEW ANTIVIRAL SUBSTITUTED PYRIMIDINEDIONE HOMOCARBOCYCLIC NUCLEOSIDE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING THE SAME AS ACTIVE INGREDIENTS SAMJIN PHARMACEUTICAL CO., LTD. (KR) 1997-08-28 WO disclosed
EP-0736015-A1 NOVEL ANTIVIRAL 2,4-PYRIMIDINEDIONE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1996-10-09 EP disclosed
WO-1995018109-A1 NOVEL ANTIVIRAL 2,4-PYRIMIDINEDIONE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1995-07-06 WO disclosed
EP-0639971-A1 THERAPEUTIC COMBINATIONS THE WELLCOME FOUNDATION LIMITED (GB) 1995-03-01 EP disclosed
WO-1993023021-A2 THERAPEUTIC COMBINATIONS THE WELLCOME FOUNDATION LIMITED (GB) 1993-11-25 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-20040248922-A1 LAVENDAMYCIN ANALOGS, QUINOLINE-5,8-DIONES AND METHODS OF USING THEM LSS, CYP51A1, COX5A DHFR 245/4885TYMP 1115/4885NR3C1 4834/4885

“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.