SCHEMBL9419635

SCHEMBL9419635

c1ccc2c(c1)Oc1ccccc1N2CCCCN1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.50
CACNA1H O95180 1/20 0.50
KDM1A O60341 4/20 0.49
SIGMAR1 Q99720 3/20 0.49
FPR2 P25090 2/20 0.48
F2 P00734 1/20 0.47
F10 P00742 1/20 0.47
PLG P00747 1/20 0.47
PRSS1 P07477 1/20 0.47
P2RX4 Q99571 1/20 0.45

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
SCHEMBL6969785 0.97 CACNA1B (0.50) CACNA1BCACNA1HKDM1ASIGMAR1FPR2
SCHEMBL6102599 0.95 CACNA1B (0.51) CACNA1BCACNA1HKDM1ASIGMAR1FPR2
SCHEMBL9085509 0.86 CACNA1B (0.50) CACNA1BCACNA1HP2RX4
SCHEMBL13305140 0.86 KDM1A (0.67) CACNA1BKDM1ASIGMAR1F2F10
SCHEMBL13305239 0.86 KDM1A (0.60) CACNA1BKDM1ASIGMAR1FPR2
SCHEMBL6102976 0.85 PIM1 (0.59) SIGMAR1FPR2
SCHEMBL9419616 0.84 HTR1A (0.62) CACNA1BCACNA1HKDM1ASIGMAR1
SCHEMBL13305256 0.84 KDM1A (0.61) CACNA1BKDM1ASIGMAR1
SCHEMBL6104044 0.83 PIM1 (0.60) CACNA1BCACNA1HSIGMAR1
SCHEMBL29354742 0.83 PIM1 (0.60) CACNA1BCACNA1HSIGMAR1

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
US-5371081-A Useful in potentiating the cytotoxic effect of chemotherapeutic agents ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 1994-12-06 US claimed
US-9012217-B2 Benzimidazole compounds differentiate a mammalian stem cell into mesodermal or cardiomyocyte cells BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2015-04-21 US disclosed
US-9012217-B2 Benzimidazole compounds differentiate a mammalian stem cell into mesodermal or cardiomyocyte cells BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2015-04-21 US disclosed
US-20100159596-A1 SMALL MOLECULE COMPOUNDS FOR STEM CELL DIFFERENTIATION BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-06-24 US disclosed
US-20100159596-A1 SMALL MOLECULE COMPOUNDS FOR STEM CELL DIFFERENTIATION BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-06-24 US disclosed
WO-2010033643-A2 SMALL MOLECULE COMPOUNDS FOR STEM CELL DIFFERENTIATION BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-03-25 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-20100159596-A1 SMALL MOLECULE COMPOUNDS FOR STEM CELL DIFFERENTIATION RCOR3, BRD3, BRPF3 CACNA1B 1119/4885CACNA1H 2362/4885KDM1A 2111/4885

“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.