SCHEMBL6170840

SCHEMBL6170840

O=C(NCc1ccc2c(c1)OCO2)c1ccc2nc(C3CC3)n(Cc3ccccc3F)c2c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.57
NPC1 O15118 2/20 0.52
TSHR P16473 2/20 0.51
LMNA P02545 3/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
MAPK1 P28482 1/20 0.50
MMP13 P45452 1/20 0.50
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
PKM P14618 1/20 0.49
POLB P06746 1/20 0.49
ALDH1A1 P00352 1/20 0.49
RORC P51449 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
TP53 P04637 1/20 0.47
CRHBP P24387 1/20 0.47
RECQL P46063 1/20 0.47
CRHR2 Q13324 1/20 0.47

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
SCHEMBL6169002 0.78 GLP1R (0.51) KMT2AMEN1MAPTPOLBALDH1A1
SCHEMBL6169383 0.76 PTPN1 (0.43) NPC1KMT2AMEN1MAPTPOLB
SCHEMBL1160220 0.76 HDAC3 (0.43) HPGDLMNAKMT2AMEN1MAPT
SCHEMBL6172400 0.76 TP53 (0.51) HPGDNPC1TSHRLMNAKMT2A
SCHEMBL6169463 0.73 MEN1 (0.50) NPC1TSHRLMNAKMT2AMEN1
SCHEMBL108263 0.71 ALDH1A1 (0.92) HPGDNPC1TSHRLMNAKMT2A
SCHEMBL6168534 0.71 PDE2A (0.53) HPGDKMT2AMEN1MAPTPKM
SCHEMBL6170040 0.71 SMN1; SMN2 (0.53) HPGDNPC1LMNAMAPK1MAPT
SCHEMBL5335238 0.69 MEN1 (1.00) HPGDNPC1TSHRLMNAKMT2A
SCHEMBL4925396 0.69 MEN1 (0.84) HPGDNPC1TSHRLMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882718-B1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2005-08-31 EP disclosed
US-20020082280-A1 Method of inhibiting neoplastic cells with benzimidazole derivatives OSI PHARMACEUTICALS, INC. 2002-06-27 US disclosed
US-6352985-B1 CARDIOVASCULAR DISORDERS OR GASTROINTESTINAL DISORDERS, DIABETES (TYPE II DIABETES), DIABETIC COMPLICATIONS METHOD FOR LOWERING THE BLOOD SUGAR LEVEL OF A PATIENT, FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-05 US disclosed
US-6348032-B1 POTENT COMPOUNDS THAT INDUCE APOPTOSIS IN NEOPLASTIC CELLS (BUT NOT SUBSTANTIALLY IN NORMAL CELLS), WITHOUT SUBSTANTIALLY INHIBITING PGE-2. CELL PATHWAYS, INC. 2002-02-19 US disclosed
US-6166219-A Benzimidazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-12-26 US disclosed
EP-0882718-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-12-09 EP 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-20020082280-A1 Method of inhibiting neoplastic cells with benzimidazole derivatives MKI67, CCNI, TMBIM6 HPGD 223/4885NPC1 827/4885TSHR 4275/4885

“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.