SCHEMBL6169524

SCHEMBL6169524

O=C(NCc1ccccn1)c1ccc2ncn(Cc3ccccc3Cl)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
PDE2A O00408 1/20 0.54
ALDH1A1 P00352 3/20 0.53
CASP6 P55212 1/20 0.53
POLB P06746 3/20 0.50
HPGD P15428 3/20 0.50
NAMPT P43490 1/20 0.50
TP53 P04637 3/20 0.49
DGAT2 Q96PD7 1/20 0.49
LMNA P02545 2/20 0.49
IDO1 P14902 1/20 0.48
KMT2A Q03164 2/20 0.48
ROCK2 O75116 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
PKM P14618 1/20 0.46
ALOX15 P16050 1/20 0.46

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
SCHEMBL1608534 0.83 HDAC6 (0.60) ALDH1A1CASP6TP53LMNAIDO1
SCHEMBL6168600 0.82 PDE2A (0.60) KDM4EPDE2AALDH1A1CASP6POLB
SCHEMBL6168869 0.81 TP53 (0.56) KDM4EPDE2AALDH1A1CASP6POLB
SCHEMBL6168534 0.80 PDE2A (0.53) KDM4EPDE2AALDH1A1CASP6POLB
SCHEMBL6170503 0.80 FGFR1 (0.53) ALDH1A1HPGDLMNANPC1RAB9A
SCHEMBL7674177 0.79 PDE2A (0.55) KDM4EPDE2AALDH1A1CASP6POLB
SCHEMBL6170736 0.78 RAB9A (0.53) KDM4EPDE2AALDH1A1CASP6POLB
SCHEMBL1608175 0.78 HDAC6 (0.58) NAMPTIDO1
SCHEMBL6169384 0.78 PDE2A (0.53) KDM4EPDE2AALDH1A1POLBHPGD
SCHEMBL6172751 0.75 TP53 (0.55) KDM4EPDE2AALDH1A1HPGDNAMPT

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 KDM4E 2132/4885PDE2A 3774/4885ALDH1A1 487/4885

“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.