SCHEMBL6495007

SCHEMBL6495007

COC(=O)c1ccc(C(=O)NCCNc2ccccn2)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
KMT2A Q03164 3/20 0.45
MITF O75030 1/20 0.45
HPGD P15428 2/20 0.43
FDPS P14324 1/20 0.42
CYP2C19 P33261 2/20 0.42
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 2/20 0.41
ACKR3 P25106 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
F2 P00734 1/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 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
SCHEMBL6500201 0.89 KMT2A (0.48) NPC1RAB9AKMT2AMITFHPGD
SCHEMBL1587018 0.80 HPGD (0.67) NPC1RAB9AKMT2AHPGDPOLB
SCHEMBL16789045 0.79 CXCR4 (0.45) NPC1RAB9AKMT2AMITFHPGD
SCHEMBL30975230 0.74 KMT2A (0.68) KMT2ASMN1; SMN2ALDH1A1MEN1HDAC3
SCHEMBL2001834 0.74 NPSR1 (0.50) NPC1RAB9AKMT2AHPGDPOLB
SCHEMBL1587972 0.74 HPGD (0.50) NPC1RAB9AKMT2AHPGDCYP2C19
SCHEMBL8145501 0.74 CYP1A2 (0.56) NPC1RAB9AFDPSCYP2C19SMN1; SMN2
SCHEMBL6455155 0.74 HDAC3 (0.65) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL10401969 0.72 CYP2C19 (0.56) NPC1RAB9AHPGDFDPSCYP2C19
SCHEMBL10401970 0.72 CYP1A2 (0.53) NPC1RAB9AKMT2AHPGDFDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6960594-B2 Thiophene and furan 2,5-dicarboxamides useful in the treatment of cancer SHIRE BIOCHEM INC. (CA) 2005-11-01 US disclosed
EP-1091952-B1 THIOPHENE AND FURAN 2,5-DICARBOXAMIDES USEFUL IN THE TREATMENT OF CANCER IAF BIOCHEM INT (CA) 2003-10-29 EP disclosed
US-20020137947-A1 Thiophene and furan 2,5-dicarboxamides useful in the treatment of cancer BIOCHEM PHARMA INC. 2002-09-26 US disclosed
EP-1091952-A1 THIOPHENE AND FURAN 2,5-DICARBOXAMIDES USEFUL IN THE TREATMENT OF CANCER BIOCHEM PHARMA INC (CA) 2001-04-18 EP disclosed
WO-2000000486-A1 THIOPHENE AND FURAN 2,5-DICARBOXAMIDES USEFUL IN THE TREATMENT OF CANCER BIOCHEM PHARMA INC. (US) 2000-01-06 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-20020137947-A1 Thiophene and furan 2,5-dicarboxamides useful in the treatment of cancer ITGB5, ITGB2, ITGA2 NPC1 4753/4885RAB9A 1966/4885KMT2A 2054/4885

“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.